SCHEMBL9770923

SCHEMBL9770923

O=C(Cc1sc(N(F)C(=S)N2CCCC=N2)cc1Br)OC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34

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
SCHEMBL9770926 0.74 CYP19A1 (0.33) CYP19A1
SCHEMBL9770913 0.65 ALDH1A1 (0.34)
SCHEMBL9771005 0.57 CYP19A1 (0.35) CYP19A1
SCHEMBL10530028 0.53 CYP19A1 (1.00) CYP19A1
SCHEMBL5049441 0.52 CYP19A1 (0.71) CYP19A1
SCHEMBL28451215 0.52 CYP19A1 (0.46) CYP19A1
SCHEMBL28451213 0.52 CYP19A1 (0.40) CYP19A1
SCHEMBL27779372 0.52 CYP19A1 (0.53) CYP19A1
SCHEMBL9336424 0.52 CYP19A1 (1.00) CYP19A1
SCHEMBL25395345 0.52

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-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed