SCHEMBL77895

SCHEMBL77895

Cc1cc(N=C=O)ccc1N=C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.71
TRPA1 O75762 1/20 0.71
TDP1 Q9NUW8 4/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GLO1 Q04760 1/20 0.31
RAB9A P51151 3/20 0.30
KMT2A Q03164 3/20 0.30
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
BRD4 O60885 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 2/20 0.30

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
SCHEMBL29373346 1.00 CYP3A4 (0.71) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11229443 0.90 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11229447 0.90 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL14357631 0.89 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11215042 0.87 CYP3A4 (0.66) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL11215039 0.87 CYP3A4 (0.66) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL2157655 0.87 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL10533110 0.85 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL10533106 0.85 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL20734711 0.85 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1ALDH1A1

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 2236 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137459-A Thermally-induced reversible color-changing composite coating capable of realizing visible-near infrared spectrum synergistic modulation and preparation method thereof 中国铁道科学研究院集团有限公司铁道建筑研究所 2025-06-13 CN claimed
CN-118307740-A Branched polyurethane, preparation method and application thereof, pole piece, secondary battery and power utilization device 宁德时代新能源科技股份有限公司 2024-07-09 CN claimed
CN-118165478-A Polymer composite material based on chain scission-dynamic crosslinking strategy and preparation method and application thereof 江南大学 2024-06-11 CN claimed
CN-117987065-A Adhesive containing antistatic agent compound and protective film adhesive tape 苏州世诺新材料科技有限公司 2024-05-07 CN claimed
CN-117154101-B Secondary battery, method for manufacturing the same, and power consumption device 宁德时代新能源科技股份有限公司 2024-03-29 CN claimed
CN-117706871-A Rapid-curing nano-imprint photoresist and preparation method thereof 青岛天仁微纳科技有限责任公司 2024-03-15 CN claimed
CN-117551257-A Enclosed isocyanate curing agent and preparation method and application thereof 隆基绿能科技股份有限公司 2024-02-13 CN claimed
US-11879039-B1 Preparation method for thermoplastic multi-hybrid polyimide films HARBIN ENGINEERING UNIVERSITY (CN) 2024-01-23 US claimed
EP-3747948-B1 POLYURETHANE RESIN COMPOSITION KCC CORP (KR) 2024-01-03 EP claimed
CN-117126605-B Antistatic organosilicon paint and preparation method thereof 山东福瑞斯新材料科技有限公司 2023-12-29 CN claimed
US-5402839-A Hardness of flat-free and void free tires is formed by reacting polyol, polyisocyanate and aromatic polyamine in presence of extender oil GUPTA LAXMI C (US) 1995-04-04 US claimed
EP-0626431-A1 PHOTOCURABLE CONDUCTIVE COATING COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 1994-11-30 EP claimed
EP-0309364-B1 PROCESS FOR THE PURIFICATION AND ISOLATION OF CONDENSED ISOCYANATES BY EXTRACTION WITH LIQUID OR SUPERCRITICAL CARBON DIOXIDE RHONE-POULENC CHIMIE (FR) 1992-04-22 EP claimed
US-4871828-A Purification/isolation of isocyanate condensates RHONE-POULENC CHIMIE (FR) 1989-10-03 US claimed
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 US claimed
US-4401499-A LAMINATION SUMITOMO BAKELITE COMPANY LIMITED (JP) 1983-08-30 US claimed
EP-0083232-A1 Aqueous compositions comprising blocked isocyanate crosslinking agent FORD MOTOR COMPANY LIMITED (GB) 1983-07-06 EP claimed
US-4107102-A POLY(ALKYLENE ETHER)POLYOL, HYDRAZINE DERIVATIVE, DIISOCYANATE, BLOWING AGENT BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 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-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed