SCHEMBL136118

SCHEMBL136118

N#Cc1ccccc1N=C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HTT P42858 1/20 0.36
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL29463358 1.00 CYP3A4 (0.54) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL300907 0.84 CYP3A4 (0.47) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL45966 0.84 CYP3A4 (0.68) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL438440 0.82 LMNA (0.46) CYP3A4LMNASMN1; SMN2MEN1MAPT
Water SCHEMBL28526910 0.81 CYP3A4 (0.61) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL31618856 0.80 GABRA1 (0.47) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL2482764 0.78 ALDH1A1 (0.53) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL28851611 0.78 CYP3A4 (0.48) CYP3A4TSHRALDH1A1GABRA1GABRB2
SCHEMBL15431 0.78 CYP3A4 (0.64) CYP3A4LMNASMN1; SMN2MEN1MAPT
SCHEMBL29395383 0.78 CYP3A4 (0.64) CYP3A4LMNASMN1; SMN2MEN1MAPT

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

Claimed or disclosed in 330 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462824-A Environment-friendly degradable polymer foam material and preparation method thereof 江苏昊晟塑业科技有限公司 2023-07-21 CN claimed
CN-116042168-A High-viscosity quick UV (ultraviolet) curing adhesive and preparation method thereof 安徽大学 2023-05-02 CN claimed
CN-115411362-A Electrolyte for lithium ion battery, lithium ion battery and preparation method thereof 江苏海四达电源有限公司 2022-11-29 CN claimed
US-11291974-B2 Hybrid inorganic/organic materials having novel surface modification; process for the preparation of inorganic/organic hybrid materials; and use of said particles for chromatographic separations WATERS TECHNOLOGIES CORPORATION (US) 2022-04-05 US claimed
EP-3964287-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS Waters Technologies Corporation (US) 2022-03-09 EP claimed
CN-107176925-B Synthesis method of polysubstituted imidazoline-2, 4-diketone compound 湖北科技学院 2020-04-28 CN claimed
US-10072989-B2 Heat-sensitive resistance device Commissariat à I'Energie Atomique et aux Energies Alternatives (FR) 2018-09-11 US claimed
US-10056542-B2 Piezoelectric device COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-21 US claimed
EP-3073541-B1 PIEZOELECTRIC DEVICE COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-03-07 EP claimed
CN-107176925-A A kind of synthetic method of the cyclohexadione compounds of polysubstituted imidazoline 2,4 湖北科技学院 2017-09-19 CN claimed
US-20160284978-A1 PIEZOELECTRIC DEVICE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-29 US claimed
EP-3073541-A1 PIEZOELECTRIC DEVICE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-28 EP claimed
EP-3073496-A1 DEVICE WITH HEAT-SENSITIVE RESISTANCE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-09-28 EP claimed
CN-103613564-B Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN claimed
CN-103724293-A Preparation method of 1,2,3-thiadiazole-containing urea derivative UNIV ZHEJIANG TECHNOLOGY 2014-04-16 CN claimed
CN-103613564-A Preparation method of amido urea derivative containing 1, 2, 3-thiadiazole UNIV ZHEJIANG TECHNOLOGY 2014-03-05 CN claimed
EP-2437882-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS Waters Technologies Corporation (US) 2012-04-11 EP claimed
US-20120055860-A1 HYBRID INORGANIC/ORGANIC MATERIALS HAVING NOVEL SURFACE MODIFICATION; PROCESS FOR THE PREPARATION OF INORGANIC/ORGANIC HYBRID MATERIALS; AND USE OF SAID PARTICLES FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION (US) 2012-03-08 US claimed
US-20120012796-A1 CONDUCTIVE FILMS BASED ON GRAPHENE AND PROCESS FOR PREPARING THE SAME NANKAI UNIVERSITY (CN) 2012-01-19 US claimed
WO-2010141426-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION (US) 2010-12-09 WO claimed