SCHEMBL2937

SCHEMBL2937

[CH2]c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
PDGFRB P09619 3/20 0.50
PDGFRA P16234 3/20 0.50
MGAM O43451 1/20 0.50
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ACHE P22303 1/20 0.48
CYP2A6 P11509 1/20 0.47
BIRC5 O15392 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GPR3 P46089 1/20 0.45
EGFR P00533 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL28166328 0.98 CYP1A2 (0.55) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL32667946 0.76 PDGFRB (0.77) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL2772360 0.76 PDGFRB (0.77) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL272937 0.74 CYP1A2 (0.59) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL27960103 0.74 PDGFRB (0.67) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
Ethylene SCHEMBL28325267 0.74 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL271505 0.74 CYP1A2 (0.53) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL4818276 0.74 ALDH1A1 (0.63) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL438735 0.73 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1
SCHEMBL372216 0.73 CYP1A2 (0.57) CYP1A2PDGFRBPDGFRAMGAMALDH1A1

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 2192 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 CN claimed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP claimed
WO-2018102006-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF ENSEMBLE THERAPEUTICS CORPORATION (US) 2018-06-07 WO claimed
US-9539261-B2 Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration NEURONASCENT, INC. (US) 2017-01-10 US claimed
EP-3101017-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2016-12-07 EP claimed
CN-102743382-B Nerve is stimulated to be formed and the method and composition of inhibitory neuron degeneration 诺伊罗纳森特公司 2016-12-07 CN claimed
EP-2142534-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2016-08-10 EP claimed
EP-0863915-B1 ACYLATED ENOL DERIVATIVES OF ALPHA-KETOESTERS AND ALPHA-KETOAMIDES HOECHST MARION ROUSSEL INC (US) 2000-02-02 EP claimed
US-5948886-A ELASTASE INHIBITORS OR PRODRUGS; FOR TREATMENT OF EMPHYSEMA, CYSTIC FIBROSIS, ADULT RESPIRATORY DISTRESS SYNDROME, GOUT, DISSEMINATED INTRAVASCULAR COAGULATION, RHEUMATOID ARTHRITIS, CHRONIC BRONCHITIS, INFLAMMATORY BOWEL DISEASE, SEPTICEMIA HOECHST MARION ROUSSEL, INC. (US) 1999-09-07 US claimed
CN-1203602-A Acylated enol derivatives of 'alpha'-ketoesters and 'alpha'-ketoamides HOECHST MARION ROUSSEL INC (US) 1998-12-30 CN claimed
EP-0863915-A1 ACYLATED ENOL DERIVATIVES OF $g(a)-KETOESTERS AND $g(a)-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP claimed
CN-1172802-A Process for preparation of [(5, 6 -dicarboxy 3 -pyridyl) methyl] ammonium halides AMERICAN CYANAMID CO (US) 1998-02-11 CN claimed
WO-1997020856-A1 ACYLATED ENOL DERIVATIVES OF α-KETOESTERS AND α-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1997-06-12 WO claimed
WO-1996017862-A1 LHRH ANTAGONISTS HAVING LACTAM GROUPS AT THE N-TERMINUS ABBOTT LABORATORIES (US) 1996-06-13 WO claimed
US-5516759-A LHRH antagonists having lactam groups at the N-terminus TAP HOLDINGS INC. (US) 1996-05-14 US claimed
EP-0190946-B1 NOVEL CYCLIC HEXAPEPTIDE LHRH ANTAGONISTS MERCK & CO. INC. (US) 1993-01-20 EP claimed
EP-0190946-A2 Novel cyclic hexapeptide LHRH antagonists MERCK & CO. INC. (US) 1986-08-13 EP claimed