SCHEMBL1738237

SCHEMBL1738237

COc1ccc(Cn2c(C)c(C)c3ccnc(-c4ccccc4)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
CNR2 P34972 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX15 P16050 1/20 0.43
PIK3CD O00329 1/20 0.42
BCHE P06276 1/20 0.42
FABP4 P15090 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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 SCHEMBL1736718 0.99 CCNA2 (0.44) CCNA2CDK2PTGDR2ALDH1A1HTT
SCHEMBL1737504 0.95 ALDH1A1 (0.48) CCNA2CDK2PTGDR2ALDH1A1HTT
Hydrochloric Acid SCHEMBL1736943 0.94 ALDH1A1 (0.47) CCNA2CDK2PTGDR2ALDH1A1HTT
SCHEMBL1739797 0.94 ALDH1A1 (0.46) CCNA2CDK2PTGDR2ALDH1A1HTT
Hydrochloric Acid SCHEMBL1735548 0.93 ALDH1A1 (0.44) CCNA2CDK2PTGDR2ALDH1A1HTT
SCHEMBL1737422 0.91 LMNA (0.46) PTGDR2ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL1737126 0.90 TP53 (0.47) PTGDR2ALDH1A1HTTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL1736621 0.90 LMNA (0.46) PTGDR2ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL1737684 0.90 TP53 (0.47) PTGDR2ALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL1737107 0.89 FABP4 (0.51) PTGDR2ALDH1A1HTTKDM4ESMN1; SMN2

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 6 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed