SCHEMBL1737529

SCHEMBL1737529

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCCCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FABP4 P15090 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FABP3 P05413 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ENPP2 Q13822 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2B P29275 1/20 0.35
TSHR P16473 1/20 0.35

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 SCHEMBL1736923 0.99 TP53 (0.37) TP53ALDH1A1HPGDMEN1KMT2A
SCHEMBL1739451 0.94 L3MBTL1 (0.38) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1738183 0.93 L3MBTL1 (0.38) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1736282 0.92 LMNA (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1737860 0.92 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL1737764 0.92 GAA (0.41) TP53ALDH1A1HPGDMEN1KMT2A
SCHEMBL1739005 0.92 ALDH1A1 (0.43) TP53ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL1735624 0.92 LMNA (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1736716 0.91 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1735900 0.91 GAA (0.40) TP53ALDH1A1HPGDMEN1KMT2A

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