SCHEMBL1738747

SCHEMBL1738747

Cc1c(C)n(Cc2ccccc2)c2c(N3CCc4ccccc4C3)nc(C(=O)NCc3cccc(Cl)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARG P37231 1/20 0.44
HCRTR1 O43613 1/20 0.43
TP53 P04637 4/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
FABP4 P15090 1/20 0.39
THRB P10828 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MMP13 P45452 1/20 0.39
CNR2 P34972 1/20 0.39

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 SCHEMBL1736694 0.99 MEN1 (0.44) MEN1KMT2APPARGHCRTR1TP53
SCHEMBL1739447 0.91 MEN1 (0.42) MEN1KMT2APPARGHCRTR1TP53
SCHEMBL1736749 0.91 PPARG (0.42) MEN1KMT2APPARGTP53LMNA
Hydrochloric Acid SCHEMBL1738710 0.90 MEN1 (0.42) MEN1KMT2APPARGHCRTR1TP53
SCHEMBL1737224 0.90 TP53 (0.44) MEN1KMT2APPARGTP53MAPT
SCHEMBL1738100 0.89 MAPT (0.40) MEN1KMT2AMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL1737347 0.88 MAPT (0.39) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1739562 0.87 ALDH1A1 (0.53) MEN1KMT2APPARGTP53MAPT
SCHEMBL1738202 0.87 ALDH1A1 (0.45) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL1737880 0.87 FABP4 (0.40) MEN1KMT2AMAPTLMNAALDH1A1

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