SCHEMBL351052

SCHEMBL351052

CCc1cccc2snc(N(CC)C(=O)C3CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 5/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.34
SLC2A1 P11166 1/20 0.34
MAPK1 P28482 1/20 0.34
USP30 Q70CQ3 1/20 0.33
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL10167466 0.90 HTT (0.38) MEN1KMT2AMAPTHTTTP53
SCHEMBL353612 0.89 MEN1 (0.35) MEN1KMT2AMAPTHTTTP53
SCHEMBL10167510 0.86 MAPT (0.43) MEN1KMT2AMAPTHTTTP53
SCHEMBL10167492 0.82 MAPT (0.36) MAPTHTTTP53SMN1; SMN2KDM4E
SCHEMBL354475 0.80 HTT (0.40) MEN1KMT2AHTTTP53SMN1; SMN2
SCHEMBL10167456 0.77 ALDH1A1 (0.39) MEN1KMT2AMAPTHTTTP53
SCHEMBL352691 0.76 KMT2A (0.39) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL10167434 0.75 ALDH1A1 (0.37) MEN1KMT2AMAPTHTTTP53
SCHEMBL10167462 0.75 TP53 (0.38) MEN1KMT2AMAPTHTTTP53
SCHEMBL352076 0.75 HTR2C (0.34) MEN1KMT2AMAPTTP53SMN1; SMN2

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-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed