SCHEMBL8601226

SCHEMBL8601226

CCCCc1sc(F)c(N=C=S)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 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
SCHEMBL8602580 0.91 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL8598910 0.84 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL8600407 0.76 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL8603882 0.75
SCHEMBL8601215 0.75
SCHEMBL8602852 0.73 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL8604179 0.72 TRPM8 (0.33) GABRA1GABRB2
SCHEMBL8603177 0.72 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL8600590 0.72 COMT (0.40)
SCHEMBL8601531 0.71 HTT (0.31) GABRA1GABRB2

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
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed