SCHEMBL4333018

SCHEMBL4333018

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
GSK3B P49841 2/20 0.38
MAPT P10636 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CSNK1G2 P78368 1/20 0.37
PRKAA1 Q13131 1/20 0.37

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
SCHEMBL4339512 0.87 MAPK14 (0.36) MAPTALDH1A1NPSR1
SCHEMBL4341686 0.85 ALOX15 (0.43) MAPT
SCHEMBL4346788 0.82 MMP2 (0.41) GSK3BMAPTROCK2PRKACAGSK3A
SCHEMBL4347024 0.82 KDM4E (0.47) MAPTALDH1A1GAANPSR1
SCHEMBL4334687 0.81 CYP1A2 (0.43) MAPTALDH1A1GAAL3MBTL1KDR
SCHEMBL4343913 0.81 KMT2A (0.43) MAPTALDH1A1GAANPSR1
SCHEMBL4351602 0.79 GAA (0.44) MAPTALDH1A1GAAL3MBTL1NPSR1
SCHEMBL4344250 0.76 KIF11 (0.47) KIF11GSK3BMAPTIDO1TDO2
SCHEMBL8050551 0.75 KIF11 (0.43) KIF11GSK3BMAPTIDO1TDO2
SCHEMBL4337592 0.73 DHODH (0.50) MAPTALDH1A1KDRNPSR1

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