SCHEMBL9865138

SCHEMBL9865138

CC[S+]([O-])c1sc(C(=O)c2ccc(Cl)cc2)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
USP7 Q93009 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PRNP P04156 1/20 0.36
S1PR3 Q99500 6/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GCGR P47871 1/20 0.33
S1PR1 P21453 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL10369197 0.91 SMN1; SMN2 (0.36) MAPTHPGDUSP7SMN1; SMN2NPC1
SCHEMBL9865076 0.88 ALDH1A1 (0.42) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9865184 0.86 USP7 (0.39) MAPTHPGDUSP7SMN1; SMN2NPC1
SCHEMBL9865166 0.79 USP7 (0.40) USP7SMN1; SMN2ALDH1A1TSHR
SCHEMBL9865250 0.76 LMNA (0.42) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9865195 0.74 LMNA (0.52) MAPTHPGDNPC1RAB9ALMNA
SCHEMBL9866055 0.74 LMNA (0.42) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9865622 0.74 ALDH1A1 (0.42) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9864883 0.69
SCHEMBL9864771 0.67 SRC (0.36) MAPTHPGDNPC1RAB9ALMNA

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