SCHEMBL1738542

SCHEMBL1738542

Cc1c(C)n(Cc2ccc(F)cc2)c2c(COc3ccccc3Cl)nccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
FABP4 P15090 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK14 Q16539 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 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 SCHEMBL1736792 0.99 MCL1 (0.39) MCL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1737357 0.94 MCL1 (0.40) MCL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1737165 0.93 FABP4 (0.44) KMT2AMEN1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL1737653 0.93 MCL1 (0.39) MCL1KMT2AMEN1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1737555 0.92 FABP4 (0.43) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL1737488 0.86 KDM4E (0.39) KMT2AMEN1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL1738061 0.85 KDM4E (0.38) KMT2AMEN1SMN1; SMN2HTTALDH1A1
SCHEMBL1736156 0.85 MAPT (0.42) MCL1KMT2AMEN1LMNANPSR1
SCHEMBL1739422 0.85 MAPT (0.42) SMN1; SMN2HTTMAPTPOLBTP53
SCHEMBL1736802 0.85 L3MBTL1 (0.39) MCL1KMT2AMEN1MAPTMAPK14

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