SCHEMBL50333

SCHEMBL50333

O=C=Nc1ccc(Oc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 1/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FURIN P09958 1/20 0.35
PARP10 Q53GL7 2/20 0.34
HPGD P15428 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP16 Q8N5Y8 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
SCHEMBL4551613 1.00 CYP3A4 (0.54) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL4544188 1.00 CYP3A4 (0.54) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL1415412 0.93 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL14493735 0.91 CYP3A4 (0.47) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL242048 0.91 LTA4H (0.50) CYP3A4TSHRPARP10LTA4HCA1
SCHEMBL11025348 0.89 MAPT (0.47) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL15494520 0.89 ALDH1A1 (0.56) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL10534838 0.89 MAPK1 (0.47) CYP3A4TSHRTDP1MAPK1ADRA2A
SCHEMBL28101787 0.89 LTA4H (0.48) CYP3A4TSHRTDP1MAPK1TRPA1
SCHEMBL668152 0.89 TEAD4 (0.47) CYP3A4TSHRTDP1MAPK1ADRA2A

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 4909 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240301124-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-09-12 US claimed
CN-118388812-A High-dielectric energy storage polyurea film and preparation method and application thereof 哈尔滨工业大学 2024-07-26 CN claimed
US-20240217923-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF (CHINA) COMPANY LIMITED (CN) 2024-07-04 US claimed
CN-116124953-B Rapid detection method for determining isocyanate by ultra-efficient phase-combining chromatography 重庆市计量质量检测研究院 2024-07-02 CN claimed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US claimed
EP-4330226-A1 A DIISOCYANATE STABILIZER, USE THEREOF, AND DIISOCYANATE COMPOSITION BASF SE (DE) 2024-03-06 EP claimed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP claimed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP claimed
CN-117203185-A Diisocyanate stabilizer, use thereof and diisocyanate composition 巴斯夫欧洲公司 2023-12-08 CN claimed
EP-4274858-A1 A WATERBORNE POLYURETHANE-EPOXY RESIN BASED PRIMER COMPOSITION AND ITS PREPARATION METHOD THEREOF BASF Coatings GmbH (DE) 2023-11-15 EP claimed
US-4211699-A FROM A DIISOCYANATE, AN AMINO- OR HYDRAZINO DIOL, AND A MASKING LACTAM BAYER AKTIENGESELLSCHAFT (DE) 1980-07-08 US claimed
US-4153775-A DIHYDROXY MASKED DIISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 US claimed
US-4129695-A POLYOXAZOLIDONE AND CARBODIIMIDE UNITS RHONE-POULENC INDUSTRIES (FR) 1978-12-12 US claimed
US-4100118-A POLYGLYCIDYL ESTER OF A FATTY ACID, ISOCYANATE COMPOUND AND CURING CATALYST, THERMAL RESISTANCE, THERMAL SHOCK RESISTANCE HITACHI, LTD. (JP) 1978-07-11 US claimed
US-4088637-A Process for the production of polycondensates containing imide groups BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US claimed
US-4028310-A REACTING POLYISOCYANATES WITH DIAMINES, COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-07 US claimed
US-4018743-A Process for preparing triketoimidazolidines HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-19 US claimed
US-RE29134-E Polyimide precursor and method and composition for preparing it WESTINGHOUSE ELECTRIC CORPORATION (US) 1977-02-08 US claimed
US-3952084-A FILMS, ENAMELS WESTINGHOUSE ELECTRIC CORPORATION (US) 1976-04-20 US claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed