SCHEMBL1736032

SCHEMBL1736032

CCOCc1c(C)n(Cc2ccccc2)c2c(-c3ccc(Cl)cc3)nccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.39
MCL1 Q07820 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
Hydrochloric Acid SCHEMBL1736670 0.99 GPR119 (0.38) GPR119MCL1PTGDR2DYRK1AALDH1A1
SCHEMBL1737534 0.89 MCL1 (0.37) MCL1PTGDR2DYRK1AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL1737963 0.88 MCL1 (0.36) MCL1PTGDR2DYRK1AALDH1A1NPSR1
SCHEMBL1736273 0.82 FABP4 (0.47) MCL1PTGDR2DYRK1AALDH1A1DRD2
Hydrochloric Acid SCHEMBL1736505 0.81 FABP4 (0.46) MCL1PTGDR2DYRK1AALDH1A1DRD2
SCHEMBL1735938 0.79 MCL1 (0.45) MCL1PTGDR2DYRK1AALDH1A1NPSR1
SCHEMBL1737773 0.78 FABP4 (0.44) MCL1PTGDR2ALDH1A1DRD2DRD4
Hydrochloric Acid SCHEMBL1736841 0.78 MCL1 (0.44) MCL1PTGDR2DYRK1AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL1735597 0.77 FABP4 (0.43) MCL1PTGDR2ALDH1A1DRD2DRD4
SCHEMBL1738530 0.76 KDM4E (0.46) MCL1PTGDR2ALDH1A1DRD2DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed