SCHEMBL17992013

SCHEMBL17992013

COc1ccc(-c2coc3cc(OS(=O)(=O)O)ccc3c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
CYP3A4 P08684 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 2/20 0.53
XDH P47989 1/20 0.51
HSD17B10 Q99714 2/20 0.51
KIF11 P52732 4/20 0.50
STS P08842 1/20 0.47
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
BCL2 P10415 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL17991988 0.95 STS (0.51) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL15399392 0.90 MAPT (0.53) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17988702 0.87 STS (0.45) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL15398873 0.84 STS (0.66) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17991990 0.83 MAPT (0.58) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17991989 0.83 MAPT (0.61) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17991999 0.83 MAPT (0.57) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17988695 0.82 ALDH1A1 (0.55) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17991978 0.80 MAPT (0.50) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL17988698 0.78 STS (0.58) MAPTALDH1A1NPC1RAB9AKDM4E

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-9409859-B2 Substituted diphenyl derivatives CREATIVE THERAPEUTICS GMBH (DE) 2016-08-09 US disclosed