SCHEMBL11387133

SCHEMBL11387133

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.53
▸ GUSB P08236 3/20 0.45
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ TNKS O95271 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41

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
SCHEMBL11375759 0.89 GUSB (0.50) CBFBGUSBTNKSPDE10APOLB
SCHEMBL11377954 0.88 CBFB (0.41) CBFBGUSBTNKSPOLB
SCHEMBL11383158 0.88 CBFB (0.52) CBFBPDE4APDE4BPDE4CPDE4D
SCHEMBL11381930 0.88 ALDH1A1 (0.55) CBFBGUSBCYP1A2MEN1POLB
SCHEMBL11384772 0.87 PDE5A (0.50) CBFBGUSBPDE4APDE4BPDE4C
SCHEMBL11380779 0.86 PDE5A (0.45) CBFBGUSBPDE4APDE4BPDE4C
SCHEMBL11379676 0.84 GUSB (0.51) GUSBCYP1A1CYP1B1CYP1A2PDE4A
SCHEMBL11382413 0.83 GUSB (0.59) GUSBCYP1A1CYP1B1CYP1A2PDE4A
SCHEMBL11549248 0.80 GUSB (0.56) GUSBCYP1A1CYP1B1CYP1A2MEN1
SCHEMBL11379972 0.78 GUSB (0.68) GUSBCYP1A1CYP1B1CYP1A2PDE4A

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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