SCHEMBL9865467

SCHEMBL9865467

C[S+]([O-])c1sc(C=O)c(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.39
FNTB P49356 6/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRAF P15056 1/20 0.34
PIK3CA P42336 2/20 0.34

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 0.81 FNTA (0.39) FNTAFNTBKMT2AMAPTKDM4E
SCHEMBL9865673 0.79 FNTA (0.48) FNTAFNTBKMT2AMAPTALDH1A1
SCHEMBL9865743 0.72
SCHEMBL10654927 0.70 KDM4E (0.40) FNTAFNTBKMT2AMAPTKDM4E
SCHEMBL9865163 0.67 MAPT (0.40) FNTAFNTBKMT2AMAPTKDM4E
SCHEMBL18430432 0.65 ALDH1A1 (0.46) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL3138051 0.64 GRIA4 (0.65) FNTAFNTBKMT2APIK3CAGRIA2
SCHEMBL13991798 0.64 ALDH1A1 (0.47) FNTAFNTBKMT2AMAPTKDM4E
SCHEMBL13522819 0.63 GRIA4 (0.48) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL9864797 0.63

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