SCHEMBL9872092

SCHEMBL9872092

COc1cc(OC(F)F)nc(Oc2cccc(F)c2C(=O)O)n1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45

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
SCHEMBL9730939 0.93 CYP1A2 (0.46) CYP1A2
SCHEMBL9223212 0.92 CYP1A2 (0.53) NPC1CYP1A2RAB9A
SCHEMBL9380431 0.88 CYP1A2 (0.46) CYP1A2
SCHEMBL9873521 0.85 ALDH1A1 (0.58) NPC1CYP1A2RAB9A
SCHEMBL9221837 0.83 CYP1A2 (0.48) CYP1A2
Bispyribac SCHEMBL4895772 0.83 CA12 (0.56) CYP1A2
Bispyribac SCHEMBL65725 0.83 CA12 (0.56) CYP1A2
Bispyribac SCHEMBL238471 0.81 CA12 (0.54) CYP1A2
Bispyribac SCHEMBL9195440 0.81 CA12 (0.54) CYP1A2
Bispyribac SCHEMBL2114791 0.81 CA12 (0.54) CYP1A2

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-4985066-A 2-phenoxypyrimidine derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-15 US claimed