SCHEMBL17991990

SCHEMBL17991990

COc1ccc(-c2coc3cc(OS(=O)(=O)O)ccc3c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
KIF11 P52732 5/20 0.52
KDM4E B2RXH2 4/20 0.52
TP53 P04637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 2/20 0.52
XDH P47989 1/20 0.51
POLB P06746 1/20 0.51
HMGB1 P09429 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
IL2 P60568 2/20 0.48
BCL2 P10415 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL17991978 0.93 MAPT (0.50) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL17991989 0.92 MAPT (0.61) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL15398655 0.90 MAPT (0.58) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL17992013 0.83 MAPT (0.53) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL15399462 0.83 STS (0.63) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL17991988 0.81 STS (0.51) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL17988703 0.81 MIF (0.51) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL17988696 0.81 ALOX12 (0.47) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL17988697 0.80 MAPT (0.53) MAPTRAB9ANPC1KIF11KDM4E
SCHEMBL3355210 0.80 STS (0.65) MAPTRAB9ANPC1KDM4ETP53

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