SCHEMBL8987703

SCHEMBL8987703

COCc1cc(C)nc(N(O)c2cccc(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.41
SMN1; SMN2 Q16637 1/20 0.33
CETP P11597 1/20 0.32

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
SCHEMBL9694466 0.85 FFAR1 (0.39) FFAR1
SCHEMBL9694334 0.84 ACHE (0.38) SMN1; SMN2CETP
SCHEMBL9043694 0.80 FFAR1 (0.38) FFAR1SMN1; SMN2
SCHEMBL8987610 0.80 FFAR1 (0.36) FFAR1
SCHEMBL8987541 0.76 HCRTR2 (0.36)
SCHEMBL9043196 0.72 FFAR1 (0.39) FFAR1
SCHEMBL9044724 0.71 FFAR1 (0.39) FFAR1
SCHEMBL9043138 0.70 FFAR1 (0.38) FFAR1
SCHEMBL9044928 0.67 ALDH1A1 (0.44) FFAR1SMN1; SMN2
SCHEMBL9694344 0.66 ALDH1A1 (0.44) SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441747-A2 Microbicide agent CIBA-GEIGY AG (CH) 1991-08-14 EP claimed
EP-0441747-B1 Microbicide agent CIBA GEIGY AG (CH) 1996-07-03 EP disclosed
US-5120741-A Crop protection against phytopathogenic microorganisms CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
EP-0441747-A2 Microbicide agent CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed