SCHEMBL17991978

SCHEMBL17991978

O=c1c(-c2ccc(OS(=O)(=O)O)c([N+](=O)[O-])c2)coc2cc(OS(=O)(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
STS P08842 1/20 0.49
ALOX12 P18054 1/20 0.49
KIF11 P52732 5/20 0.48
XDH P47989 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ALDH2 P05091 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.43
HMGB1 P09429 1/20 0.43
MEN1 O00255 2/20 0.43

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
SCHEMBL17991989 0.93 MAPT (0.61) MAPTNPC1RAB9AALOX12KIF11
SCHEMBL17991990 0.93 MAPT (0.58) MAPTNPC1RAB9ASTSALOX12
SCHEMBL15399462 0.88 STS (0.63) MAPTNPC1RAB9ASTSALOX12
SCHEMBL17988703 0.88 MIF (0.51) MAPTNPC1RAB9ASTSALOX12
SCHEMBL17988696 0.87 ALOX12 (0.47) MAPTNPC1RAB9ASTSALOX12
SCHEMBL17991988 0.84 STS (0.51) MAPTNPC1RAB9ASTSALOX12
SCHEMBL15398655 0.83 MAPT (0.58) MAPTNPC1RAB9ASTSALOX12
SCHEMBL3355210 0.82 STS (0.65) MAPTNPC1RAB9ASTSXDH
SCHEMBL17988699 0.80 STS (0.49) MAPTNPC1RAB9ASTSALOX12
SCHEMBL17992013 0.80 MAPT (0.53) MAPTNPC1RAB9ASTSKIF11

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