SCHEMBL806765

SCHEMBL806765

COc1cccc(NS(=O)(=O)c2cc(Br)cnc2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 2/20 0.53
HPGD P15428 2/20 0.53
SHMT2 P34897 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ALPL P05186 5/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9954777 0.87 PIK3CD (0.56) MEN1KMT2ASHMT2MAPTALPL
SCHEMBL806782 0.87 SMN1; SMN2 (0.54) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL806771 0.86 SHMT2 (0.55) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16926620 0.84 PIK3C3 (0.61) LMNAKMT2ASHMT2MAPTALPL
SCHEMBL12474801 0.84 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9955131 0.83 FABP1 (0.44) LMNASMN1; SMN2ALDH1A1HPGDSHMT2
SCHEMBL9953524 0.82 SHMT2 (0.54) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15211892 0.80 ALPL (0.72) LMNASMN1; SMN2ALDH1A1ALPL
SCHEMBL10289065 0.80 ITK (0.48) SHMT2MAPT
SCHEMBL19211730 0.80 SHMT2 (0.51) ALDH1A1MEN1KMT2ASHMT2POLB

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed