SCHEMBL18210690

SCHEMBL18210690

C=C(O)CSc1cc(NS(=O)(=O)c2ccc(Cl)c(OCC)c2)c2ccccc2c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
POLB P06746 5/20 0.63
KMT2A Q03164 5/20 0.63
G6PD P11413 4/20 0.63
BLM P54132 4/20 0.63
CFTR P13569 4/20 0.63
GOPC Q9HD26 4/20 0.63
TDP2 O95551 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MCL1 Q07820 15/20 0.58
KEAP1 Q14145 7/20 0.58
NFE2L2 Q16236 7/20 0.58
HKDC1 Q2TB90 6/20 0.58
RAB9A P51151 3/20 0.58
FABP4 P15090 1/20 0.58
NSD2 O96028 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL14851313 0.92 POLB (0.75) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210665 0.89 MEN1 (0.63) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210698 0.84 MEN1 (0.79) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210694 0.83 MEN1 (0.62) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210736 0.82 MEN1 (0.57) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210669 0.82 MCL1 (0.66) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210676 0.82 MCL1 (0.62) MEN1POLBKMT2AG6PDBLM
SCHEMBL14851306 0.81 MEN1 (0.75) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210675 0.81 HKDC1 (0.67) MEN1POLBKMT2AG6PDBLM
SCHEMBL18210671 0.81 MCL1 (0.82) MEN1POLBKMT2AG6PDBLM

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-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 US disclosed