SCHEMBL7427014

SCHEMBL7427014

Cc1nc(-c2ccccc2-c2ccc(CBr)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 5/20 0.43
HSD17B10 Q99714 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL704133 0.84 L3MBTL1 (0.53) L3MBTL1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1890535 0.79 GPR55 (0.38) MAPTSMN1; SMN2ALDH1A1LMNAGPR55
SCHEMBL7097837 0.78 L3MBTL1 (0.46) L3MBTL1MAPTHSD17B10NPSR1KDM4E
SCHEMBL7996346 0.76 L3MBTL1 (0.45) L3MBTL1MAPTHSD17B10NPSR1KDM4E
SCHEMBL5316479 0.75 NPC1 (0.54) L3MBTL1MAPTHSD17B10NPSR1KDM4E
SCHEMBL10892045 0.75 ALDH1A1 (0.57) HSD17B10GAAALDH1A1HPGDLMNA
SCHEMBL7366377 0.73 L3MBTL1 (0.53) L3MBTL1HSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31069896 0.73 TRPA1 (0.35) ALDH1A1GPR55TSHR
SCHEMBL31069897 0.73 TRPA1 (0.35) ALDH1A1GPR55TSHR
SCHEMBL1301049 0.73 L3MBTL1 (0.70) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A

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-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed