SCHEMBL113386

SCHEMBL113386

O=C=Nc1cccc(-c2ccccc2)c1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SIGMAR1 Q99720 2/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HNF4A P41235 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methane SCHEMBL27978530 0.98 CYP3A4 (0.46) CYP3A4GABRA1GABRB2SIGMAR1CASP3
Biphenyl SCHEMBL2817445 0.96 CYP3A4 (0.44) CYP3A4GABRA1GABRB2SIGMAR1CASP3
Toluene SCHEMBL28897191 0.92 CYP3A4 (0.49) CYP3A4GABRA1GABRB2SIGMAR1CASP3
SCHEMBL6752522 0.85 CYP3A4 (0.38) CYP3A4GABRA1GABRB2CASP3SENP8
SCHEMBL9183951 0.85 CYP3A4 (0.50) CYP3A4GABRA1GABRB2ALDH1A1HPGD
SCHEMBL29687996 0.84 CYP3A4 (0.48) CYP3A4SIGMAR1CASP3SENP8SENP7
SCHEMBL185120 0.84 CYP3A4 (0.48) CYP3A4SIGMAR1CASP3SENP8SENP7
Methane SCHEMBL27501832 0.82 CYP3A4 (0.47) CYP3A4SIGMAR1CASP3SENP8SENP7
SCHEMBL694840 0.80 GABRA1 (0.39) CYP3A4GABRA1GABRB2HNF4APARP10
SCHEMBL28578200 0.80 ALDH1A1 (0.42) CYP3A4GABRA1GABRB2ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3910 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119931181-A Preparation method of environment-friendly wood-plastic composite material 安徽农业大学 2025-05-06 CN claimed
CN-119308775-B Bearing/heat insulation integrated heat insulation structure for low-temperature storage tank common bottom, and forming method and application thereof 上海航天设备制造总厂有限公司 2025-04-15 CN claimed
CN-119751794-A Optical material composition and preparation method and application thereof 杭州睿丰融创科技有限公司 2025-04-04 CN claimed
CN-119708426-A Polyurethane resin composition and application thereof 武汉尚赛光电科技有限公司 2025-03-28 CN claimed
CN-119684554-A Thermoplastic optical material polymer and preparation method and application thereof 杭州睿丰融创科技有限公司 2025-03-25 CN claimed
CN-118954967-B Deamination and skin grinding process based on CMF integrated color crystal glass surface 龙口科诺尔玻璃科技有限公司 2025-02-07 CN claimed
CN-119308775-A Bearing/heat insulation integrated heat insulation structure for low-temperature storage tank common bottom, and forming method and application thereof 上海航天设备制造总厂有限公司 2025-01-14 CN claimed
CN-118952481-B Production process for optical micropore engraving based on color crystal CMF integration 龙口科诺尔玻璃科技有限公司 2024-12-27 CN claimed
CN-116836617-A9 High-transparency matte varnish coating composition and preparation method and application thereof 立邦涂料(中国)有限公司 2024-12-27 CN claimed
CN-118954967-A Deamination and skin grinding process based on CMF integrated color crystal glass surface 龙口科诺尔玻璃科技有限公司 2024-11-15 CN claimed
EP-0094261-A2 One-component moisture curable urethane coating system The Lubrizol Corporation (US) 1983-11-16 EP claimed
EP-0094196-A2 Two-component urethane coating system The Lubrizol Corporation (US) 1983-11-16 EP claimed
EP-0019349-B1 STABILIZING COMPOSITION FOR POLYARYLENE ESTERS, STABILIZED POLYARYLENE ESTER, MOULDED ARTICLE PRODUCED THEREFROM AND PROCESS FOR STABILIZING A POLYARYLENE ESTER MONSANTO COMPANY (US) 1983-08-03 EP claimed
EP-0019844-B1 SURFACE-ACTIVE AGENTS, AQUEOUS ISOCYANATE EMULSIONS CONTAINING THESE SURFACE-ACTIVE AGENTS, AND THEIR USE AS BINDERS FOR MANUFACTURING MOULDED BODIES BAYER AG (DE) 1983-03-16 EP claimed
US-4337333-A Substituted polyisocyanate or polyisocyanate mixtures of the diphenyl methane series containing chlorosulfonyl groups BAYER AKTIENGESELLSCHAFT (DE) 1982-06-29 US claimed
EP-0019349-A1 Stabilizing composition for polyarylene esters, stabilized polyarylene ester, moulded article produced therefrom and process for stabilizing a polyarylene ester MONSANTO COMPANY (US) 1980-11-26 EP claimed
US-4222932-A MOLDING MATERIALS STABILIZED BY ADDING AN AROMATIC ISOCYANATE AND AN ALIPHATIC PHOSPHITE MONSANTO COMPANY (US) 1980-09-16 US claimed
US-4123061-A PREPOLYMER OF A POLYETHER, A DIISOCYANATE AND A POLYOL AND POLYAMINE CURING AGENT ACUSHNET COMPANY (US) 1978-10-31 US claimed
US-4087414-A Process for producing a flame retardant isocyanurate resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1978-05-02 US claimed
US-3979126-A Ball and process and composition of matter for production thereof ACUSHNET COMPANY (US) 1976-09-07 US claimed