SCHEMBL1739005

SCHEMBL1739005

Cc1c(C)n(Cc2ccccc2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCCCC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EEF2K O00418 1/20 0.40
FABP4 P15090 1/20 0.39
RECQL P46063 1/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 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 SCHEMBL1737348 0.99 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2AEEF2K
SCHEMBL1737597 0.94 TP53 (0.41) ALDH1A1HPGDMEN1KMT2AFABP4
SCHEMBL1737764 0.93 GAA (0.41) ALDH1A1HPGDMEN1KMT2ARECQL
SCHEMBL1737860 0.93 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2ARECQL
SCHEMBL1738004 0.93 MEN1 (0.42) ALDH1A1HPGDMEN1KMT2AFABP4
Hydrochloric Acid SCHEMBL1738713 0.93 TP53 (0.41) ALDH1A1HPGDMEN1KMT2AFABP4
Hydrochloric Acid SCHEMBL1736716 0.93 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL1735900 0.93 GAA (0.40) ALDH1A1HPGDMEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL1737473 0.92 MEN1 (0.41) ALDH1A1HPGDMEN1KMT2AFABP4
SCHEMBL1737529 0.92 TP53 (0.38) ALDH1A1HPGDMEN1KMT2AFABP4

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