SCHEMBL8602952

SCHEMBL8602952

CCC(C)c1sc(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
SCHEMBL8602618 0.84 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL8599752 0.79
SCHEMBL8603241 0.78
SCHEMBL8602356 0.77 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL8598910 0.74 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL8602580 0.72 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL8603177 0.72 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL8598595 0.71 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL8601226 0.70 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8603534 0.68 GABRA1 (0.30) 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