SCHEMBL7825809

SCHEMBL7825809

CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)C1OC1C(C)(C)O2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNE1 P15382 3/20 0.41
KCNQ1 P51787 3/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HIF1A Q16665 3/20 0.37
EPAS1 Q99814 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
MAPT P10636 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
RORC P51449 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7819583 0.90 ATM (0.52) ATML3MBTL1KCNE1KCNQ1NPC1
SCHEMBL7821557 0.88 SERPINE1 (0.40) ATML3MBTL1NPC1RAB9A
SCHEMBL7821131 0.87 PGR (0.48) ATML3MBTL1MAPT
SCHEMBL7811977 0.87 ATM (0.41) ATML3MBTL1KCNE1KCNQ1NPC1
SCHEMBL9195467 0.83 TSHR (0.40) KCNE1KCNQ1NPC1RAB9AMAPT
SCHEMBL7820690 0.82 ATM (0.39) ATML3MBTL1KCNE1KCNQ1HPGD
SCHEMBL7821015 0.81 PGR (0.44) ATML3MBTL1MAPT
SCHEMBL7846865 0.78 ABCC9 (0.49) TDP1NPC1RAB9AMAPTNPSR1
SCHEMBL3442782 0.77 ABCC9 (0.52) KCNE1KCNQ1
SCHEMBL482379 0.77 ABCC9 (0.52) KCNE1KCNQ1

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
EP-0828733-B1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 2001-09-05 EP disclosed