SCHEMBL9689448

SCHEMBL9689448

C[S+]([O-])c1cccc(N(N)C2=NCCS2)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL9690000 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9581166 0.76 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL9690700 0.76 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL9690716 0.76 ALDH1A1 (0.39) ALDH1A1NPSR1
SCHEMBL9690773 0.75 GRIN2D (0.37) ALDH1A1NPSR1
SCHEMBL11747051 0.74 ALDH1A1 (0.53) ALDH1A1NPSR1
SCHEMBL9690768 0.73 ALDH1A1 (0.50) ALDH1A1NPSR1
SCHEMBL9689560 0.72 ALDH1A1 (0.36) ALDH1A1NPSR1
SCHEMBL9689432 0.72 ALDH1A1 (0.36) ALDH1A1NPSR1
SCHEMBL9690026 0.72 TSHR (0.38) ALDH1A1

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
EP-0520275-A2 2-(3-Substituted phenylhydrazino)-2-thiazoline and 2-(3-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed