SCHEMBL3431753

SCHEMBL3431753

COC(=O)c1cc(I)c(N)c(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NFKB1 P19838 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
SCHEMBL10355104 0.86 CA1 (0.52) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL15970899 0.81 KDM4E (0.46) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL29473216 0.81 KDM4E (0.51) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL2720327 0.81 KDM4E (0.51) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL26046781 0.80 KDM4E (0.46) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL18031415 0.79 KDM4E (0.58) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL18301336 0.79 CA12 (0.46) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL3709901 0.78 CA1 (0.44) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL3717095 0.78 CA1 (0.44) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL3652117 0.78 KDM4E (0.47) KDM4EMAPTGAAALDH1A1GLA

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
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 — — WO disclosed
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