SCHEMBL9865673

SCHEMBL9865673

CC(=O)c1sc([S+](C)[O-])c(C#N)c1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.48
FNTB P49356 10/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.44
PIK3CA P42336 2/20 0.42
BRAF P15056 1/20 0.41
GRIA4 P48058 2/20 0.40
GRIA2 P42262 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PRKCZ Q05513 1/20 0.39

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
SCHEMBL9865016 0.80 FNTA (0.39) FNTAFNTBKMT2AMAPTPIK3CA
SCHEMBL9865467 0.79 FNTA (0.39) FNTAFNTBKMT2AMAPTPIK3CA
SCHEMBL9866329 0.78
SCHEMBL5756967 0.78 GRIA4 (0.62) FNTAFNTBKMT2AMAPTGRIA4
SCHEMBL9865163 0.76 MAPT (0.40) FNTAFNTBKMT2AMAPTRAB9A
SCHEMBL3138051 0.76 GRIA4 (0.65) FNTAFNTBKMT2APIK3CAGRIA4
SCHEMBL16792138 0.75 FNTA (0.82) FNTAFNTBKMT2AGRIA4
SCHEMBL16792140 0.74 GRIA4 (0.64) FNTAFNTBKMT2AMAPTGRIA4
SCHEMBL9864658 0.74 GRIA4 (0.45) FNTAFNTBGRIA4GRIA2RAB9A
SCHEMBL9865077 0.73 KDM4E (0.32) FNTAFNTBMAPTRAB9AALDH1A1

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