SCHEMBL18210682

SCHEMBL18210682

C=C(O)CSc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c2ccccc2c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
POLB P06746 5/20 0.65
KMT2A Q03164 5/20 0.65
CFTR P13569 4/20 0.65
GOPC Q9HD26 4/20 0.65
TDP2 O95551 4/20 0.65
G6PD P11413 4/20 0.65
BLM P54132 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MCL1 Q07820 16/20 0.63
BCL2 P10415 4/20 0.63
BCL2L1 Q07817 4/20 0.63
BCL2A1 Q16548 4/20 0.63
BCL2L2 Q92843 4/20 0.63
HKDC1 Q2TB90 6/20 0.62
RAB9A P51151 3/20 0.62
NSD2 O96028 3/20 0.62
APAF1 O14727 1/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62

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
SCHEMBL14851526 0.92 MEN1 (0.78) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210692 0.91 MEN1 (0.68) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210703 0.86 MCL1 (0.83) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210698 0.85 MEN1 (0.79) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210702 0.85 MCL1 (0.84) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210681 0.85 MCL1 (0.65) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210701 0.83 MCL1 (0.74) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210671 0.82 MCL1 (0.82) MEN1POLBKMT2ACFTRGOPC
SCHEMBL14851528 0.82 MEN1 (0.81) MEN1POLBKMT2ACFTRGOPC
SCHEMBL18210697 0.82 MCL1 (0.77) MEN1POLBKMT2ACFTRGOPC

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