SCHEMBL1739451

SCHEMBL1739451

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(C(=O)N3CCN(C)CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ENPP2 Q13822 1/20 0.35
NTRK1 P04629 1/20 0.35
PDE4B Q07343 1/20 0.35
LMNA P02545 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 SCHEMBL1738183 0.99 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL1737529 0.94 TP53 (0.38) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL1736923 0.93 TP53 (0.37) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL1736282 0.92 LMNA (0.44) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL1738236 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDRECQL
SCHEMBL1737227 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDRECQL
SCHEMBL1738004 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL1735624 0.92 LMNA (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL1735882 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDRECQL
Hydrochloric Acid SCHEMBL1739769 0.91 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDRECQL

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