SCHEMBL9865703

SCHEMBL9865703

CCCCCCCC[S+]([O-])c1sc(C#N)cc1C#N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9876796 0.94
SCHEMBL9865219 0.88
SCHEMBL9864883 0.82
SCHEMBL9864134 0.74 USP7 (0.37) ALDH1A1HPGD
SCHEMBL9864872 0.68
SCHEMBL9864685 0.68 MAPT (0.33)
SCHEMBL9865594 0.68
SCHEMBL27281454 0.66 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL11379932 0.65
SCHEMBL9827143 0.65 KDR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994485-A Seed and soil fungi, bacteria DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-02-19 US disclosed
EP-0234622-B1 NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-06-27 EP disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed