SCHEMBL11463582

SCHEMBL11463582

Cc1ccc(C(=O)Cl)c(SCl)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CSNK2A1 P68400 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.34
HDAC7 Q8WUI4 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
SCHEMBL6225818 0.86 MEN1 (0.41) MEN1KMT2AMAPTHPGDTP53
SCHEMBL10333744 0.86 MAPT (0.43) MEN1KMT2AMAPTHPGDTP53
SCHEMBL20152373 0.80 MAPT (0.36) MEN1KMT2AMAPTHPGDTP53
SCHEMBL11453246 0.78 SMN1; SMN2 (0.44) MEN1KMT2AMAPTHPGDTP53
SCHEMBL302204 0.77 CSNK2A1 (0.48) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL21277532 0.77 TP53 (0.39) MEN1KMT2AMAPTHPGDTP53
SCHEMBL11470770 0.77 PTPRC (0.40) KMT2AMAPTHPGDLMNAGAA
SCHEMBL11470437 0.77 RAB9A (0.39) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL11464060 0.77 NPC1 (0.47) MAPTHPGDLMNAALOX15ALDH1A1
SCHEMBL11454006 0.76 KDM4E (0.31) GAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4190663-A Anti-thrombotic 1,2-benzisothiazolin-3-ones BAYER AKTIENGESELLSCHAFT (DE) 1980-02-26 US disclosed
US-4156729-A ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed