SCHEMBL11383907

SCHEMBL11383907

COc1ccc(C)cc1-c1nc2ccc(C(=O)O)cc2c(=S)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.42
▸ PDE4B Q07343 5/20 0.42
▸ PDE4C Q08493 5/20 0.42
▸ PDE4D Q08499 5/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ TPMT P51580 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ CHEK2 O96017 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL11380547 0.88 MGLL (0.48) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL11374823 0.86 L3MBTL1 (0.49) PDE4APDE4BPDE4CPDE4DCHEK2
SCHEMBL11381968 0.80 WDR5 (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11377089 0.79 MEN1 (0.46) MGLLMAPTTDP1TP53POLB
SCHEMBL11383158 0.77 CBFB (0.52) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL11377673 0.77 ALDH1A1 (0.57) MGLLLMNAMAPTPOLBMAPK1
SCHEMBL11375670 0.76 GUSB (0.56) CHEK2LMNAMAPTTDP1TP53
SCHEMBL11390124 0.76 PDE5A (0.41) MGLLMAPTTDP1TP53POLB
SCHEMBL11375402 0.76 AMY1A (0.50) LMNAMAPTTDP1TP53POLB
SCHEMBL11383000 0.75 PDE5A (0.44) PDE4APDE4BPDE4CPDE4DCHEK2

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
Send feedback