SCHEMBL9864771

SCHEMBL9864771

CCC[S+]([O-])c1sc(-c2ccc(Cl)cc2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.36
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
GAA P10253 4/20 0.34
MAPT P10636 4/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MCL1 Q07820 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
IKBKB O14920 1/20 0.33
PDE4D Q08499 2/20 0.32
PDE7A Q13946 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL9865219 0.75
SCHEMBL9876796 0.67
SCHEMBL9865138 0.67 MAPT (0.38) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL9865703 0.65 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL23416408 0.62 RXFP1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9864883 0.62
SCHEMBL9866238 0.62
SCHEMBL10655996 0.61 ALOX5 (0.39) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL12879696 0.59 PNMT (0.38) ALDH1A1KMT2A
SCHEMBL9865273 0.58

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 1 patent. 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