SCHEMBL9865724

SCHEMBL9865724

C[S+]([O-])c1sc(C#N)c(Cl)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20359 0.81
SCHEMBL9866238 0.78
SCHEMBL9865543 0.76
SCHEMBL9866329 0.75
SCHEMBL9865016 0.75 FNTA (0.39) MEN1ALDH1A1MAPTHPGDMAPK1
SCHEMBL9865594 0.74
SCHEMBL9865758 0.74 GRM6 (0.32) ALDH1A1
SCHEMBL9866005 0.71 ALDH1A1 (0.33) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL18430388 0.70 ALDH1A1 (0.39) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL9865502 0.68 ALDH1A1 (0.43) MEN1ALDH1A1MAPTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1017243-B THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY DUPHAR INT RES (NL) 1992-07-01 CN disclosed
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
CN-87101917-A Has the active novel sulfurized compound of antifungal 1988-01-06 CN disclosed
EP-0234622-A1 New thio compounds having fungicidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-09-02 EP disclosed