SCHEMBL14023926

SCHEMBL14023926

Nc1ncc(Br)cc1S(=O)(=O)Nc1ccc(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
SHMT2 P34897 1/20 0.65
NPC1 O15118 1/20 0.62
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
ALDH1A1 P00352 1/20 0.54
PKLR P30613 1/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
ALPL P05186 1/20 0.41

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
SCHEMBL8125309 0.84 MEN1 (0.49) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL9953246 0.81 NPC1 (0.68) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL742688 0.80 NPC1 (0.67) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL17792911 0.79 SHMT2 (1.00) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL740332 0.78 MEN1 (0.63) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL741553 0.75 NPC1 (0.56) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL858025 0.74 NPC1 (0.61) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL15212028 0.73 ALPL (0.74) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL740340 0.72 NPC1 (0.64) MEN1KMT2ASHMT2NPC1PLA2G1B
SCHEMBL393051 0.71 KMT2A (0.57) MEN1KMT2ASHMT2NPC1PLA2G1B

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
EP-2596793-A1 Quinoline derivatives as PI3 kinase inhibitors Glaxosmithkline LLC (US) 2013-05-29 EP disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed