SCHEMBL1378701

SCHEMBL1378701

COCCC(=O)Nc1ccc(-n2ccccc2=O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 1/20 0.43
F10 P00742 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4033506 0.76 F10 (0.64) F10
SCHEMBL4033502 0.76 F10 (0.64) F10
SCHEMBL17358324 0.75 F10 (0.38) ALDH1A1LMNACYP2D6F10HPGD
SCHEMBL1379829 0.72 F10 (0.63) ALDH1A1LMNAMAPTL3MBTL1CYP2D6
SCHEMBL1379964 0.72 CYP2D6 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4444789 0.70 F10 (0.45) LMNAMAPTMEN1KMT2AF10
SCHEMBL5428908 0.70 F10 (0.60) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL4448089 0.69 F10 (0.46) F10
SCHEMBL3469024 0.69 CYP3A4 (0.67) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL8306979 0.68 METAP2 (0.48) ALDH1A1MAPTMEN1KMT2AF10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4732757-B2 2011-07-27 JP claimed
JP-2006512321-A 2006-04-13 JP claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP claimed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO claimed