SCHEMBL4339512

SCHEMBL4339512

CCOC(=O)Oc1[nH]c2cc(F)ccc2c1Nc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.36
ALOX5 P09917 3/20 0.36
GCGR P47871 1/20 0.36
BRAF P15056 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
CDK2 P24941 2/20 0.35
EGFR P00533 1/20 0.35
IMPDH2 P12268 1/20 0.35
MAP4K4 O95819 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BUB1 O43683 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CSF1R P07333 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4343913 0.92 KMT2A (0.43) ALOX5KMT2AALDH1A1MEN1HSD17B10
SCHEMBL4341686 0.88 ALOX15 (0.43) GCGRALOX15MAPT
SCHEMBL4333018 0.87 KIF11 (0.43) ALDH1A1MAPTNPSR1
SCHEMBL4346788 0.85 MMP2 (0.41) ALOX5CDK2IMPDH2KMT2AALDH1A1
SCHEMBL4347024 0.85 KDM4E (0.47) ALOX5KMT2AALDH1A1MEN1HSD17B10
SCHEMBL4334687 0.83 CYP1A2 (0.43) KMT2AALDH1A1MEN1HSD17B10LMNA
SCHEMBL4351602 0.81 GAA (0.44) ALOX5GCGRKMT2AALDH1A1MEN1
SCHEMBL4343923 0.77 ALDH1A1 (0.40) MAPK14BRAFEIF2AK3CDK2MAP4K4
SCHEMBL4344098 0.76 NAMPT (0.39) ALOX5BRAFEIF2AK3MAP4K4ALDH1A1
SCHEMBL4340304 0.74 KMT2A (0.58) KMT2AALDH1A1MEN1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP claimed