SCHEMBL11383158

SCHEMBL11383158

COc1cccnc1-c1nc2ccc(C(=O)O)cc2c(=S)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.52
▸ PDE4A P27815 4/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ PDE4C Q08493 4/20 0.43
▸ PDE4D Q08499 4/20 0.43
▸ PDE10A Q9Y233 2/20 0.42
▸ CHEK2 O96017 3/20 0.40
▸ RUNX1 Q01196 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ TPMT P51580 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ FHIT P49789 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL11387133 0.88 CBFB (0.53) CBFBPDE4APDE4BPDE4CPDE4D
SCHEMBL11374823 0.83 L3MBTL1 (0.49) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL11375759 0.77 GUSB (0.50) CBFBPDE10ARUNX1NPC1TP53
SCHEMBL11383907 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL11377954 0.77 CBFB (0.41) CBFBRUNX1FHITNPC1TP53
SCHEMBL11381930 0.76 ALDH1A1 (0.55) CBFBNPC1TP53POLBMAPT
SCHEMBL11384772 0.76 PDE5A (0.50) CBFBPDE4APDE4BPDE4CPDE4D
SCHEMBL11380779 0.75 PDE5A (0.45) CBFBPDE4APDE4BPDE4CPDE4D
SCHEMBL11383000 0.74 PDE5A (0.44) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL11376529 0.74 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DNPC1

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
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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