SCHEMBL1735981

SCHEMBL1735981

Cc1c(C)n(CC2CO2)c2c(CCc3ccccc3)nccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
FABP4 P15090 1/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 6/20 0.34
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2C19 P33261 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP2C9 P11712 4/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
DHFR P00374 1/20 0.34
USP2 O75604 3/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
ACHE P22303 2/20 0.33

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 SCHEMBL1737769 0.99 KDM4E (0.36) KDM4EFABP4MEN1KMT2AALDH1A1
SCHEMBL1739153 0.87 OPRK1 (0.36) KDM4EFABP4MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL1736935 0.86 KDM4E (0.37) KDM4EFABP4MEN1KMT2AALDH1A1
SCHEMBL1737115 0.83 MEN1 (0.41) KDM4EFABP4MEN1KMT2AALDH1A1
SCHEMBL1737696 0.83 FABP4 (0.50) KDM4EFABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1735464 0.82 FABP4 (0.49) KDM4EFABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1735614 0.82 MEN1 (0.43) KDM4EFABP4MEN1KMT2AALDH1A1
SCHEMBL1737421 0.81 KDM4E (0.38) KDM4EFABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1738010 0.80 KDM4E (0.40) KDM4EFABP4MEN1KMT2AALDH1A1
SCHEMBL1738218 0.79 KDM4E (0.36) KDM4EFABP4MEN1KMT2AALDH1A1

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