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SCHEMBL9730939

SCHEMBL9730939

COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC(F)F)n3)c2C(=O)O)n1

nearest known ligand 0.91

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9380431 0.95 CYP1A2 (0.46) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL9872092 0.93 NPC1 (0.46) CYP1A2
Bispyribac SCHEMBL4895772 0.89 CA12 (0.56) CYP1A2CYP3A4GAACYP2C9CYP2C19
Bispyribac SCHEMBL65725 0.89 CA12 (0.56) CYP1A2CYP3A4GAACYP2C9CYP2C19
Bispyribac SCHEMBL9195440 0.88 CA12 (0.54) CYP1A2CYP3A4GAACYP2C9CYP2C19
Bispyribac SCHEMBL238471 0.88 CA12 (0.54) CYP1A2CYP3A4GAACYP2C9CYP2C19
Bispyribac SCHEMBL2114791 0.88 CA12 (0.54) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL8952122 0.87 CA12 (0.62) CYP1A2CYP3A4GAACYP2C9CYP2C19
Bispyribac SCHEMBL9197260 0.86 NPSR1 (0.51) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL9539769 0.85 LMNA (0.53) CYP1A2CYP3A4GAACYP2C9CYP2C19

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-5114463-A Bispyrimidinyloxybenzoic acids KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-19 — — US disclosed