SCHEMBL8899320

SCHEMBL8899320

CCC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(CS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL8491021 0.86 CYP2C9 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8495104 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL7995488 0.84 SMN1; SMN2 (0.47) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL11098937 0.81 MEN1 (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11172246 0.79 KMT2A (0.46) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8645260 0.79 MEN1 (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8495528 0.78 MEN1 (0.43) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11032656 0.76 MEN1 (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11032658 0.76 MEN1 (0.41) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL8008632 0.76 SRD5A2 (0.50) ALDH1A1KDM4EPOLBMEN1KMT2A

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
EP-0766666-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1997-04-09 EP disclosed