SCHEMBL9770926

SCHEMBL9770926

O=C(Cc1sc(F)c(NC(=S)N2CCCC=N2)c1Br)OC1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33

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
SCHEMBL9770923 0.74 CYP19A1 (0.34) CYP19A1
SCHEMBL9770913 0.71 ALDH1A1 (0.34)
SCHEMBL9770953 0.66 HPGD (0.36)
SCHEMBL9771005 0.66 CYP19A1 (0.35) CYP19A1
SCHEMBL8602427 0.58 CYP19A1 (0.35) CYP19A1
SCHEMBL10786781 0.57 CYP19A1 (0.37) CYP19A1
SCHEMBL240891 0.53 NAAA (0.53) CYP19A1
SCHEMBL10530028 0.52 CYP19A1 (1.00) CYP19A1
SCHEMBL17920350 0.51 CYP2C19 (0.57) CYP19A1
SCHEMBL242936 0.51 CYP2C19 (0.57) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed