SCHEMBL4351602

SCHEMBL4351602

CCOC(=O)Oc1[nH]c2ccc(Cl)cc2c1Nc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
VSIG8 P0DPA2 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 6/20 0.41
ALOX5 P09917 4/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
CSF1R P07333 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4341686 0.92 ALOX15 (0.43) MAPTGCGRSRC
SCHEMBL4343913 0.88 KMT2A (0.43) GAAALDH1A1HPGDMAPTALOX5
SCHEMBL4347024 0.85 KDM4E (0.47) GAAALDH1A1HPGDCYP1A2MAPT
SCHEMBL4334687 0.83 CYP1A2 (0.43) GAAALDH1A1HPGDCYP1A2MAPT
SCHEMBL4342254 0.83 GAA (0.60) GAAALDH1A1HPGDCYP1A2XBP1
SCHEMBL4339512 0.81 MAPK14 (0.36) ALDH1A1MAPTALOX5KDM4EHSD17B10
SCHEMBL4351607 0.79 MAPT (0.41) GAAALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4346788 0.79 MMP2 (0.41) GAAALDH1A1HPGDMAPTALOX5
SCHEMBL4333018 0.79 KIF11 (0.43) GAAALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL9240047 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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