SCHEMBL17988674

SCHEMBL17988674

CN(C)N=Nc1cc(-c2coc3cc(O)ccc3c2=O)ccc1OS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
HSD17B10 Q99714 9/20 0.56
MAPT P10636 5/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
TP53 P04637 3/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 2/20 0.55
HMGB1 P09429 1/20 0.55
ALDH1A1 P00352 9/20 0.51
HPGD P15428 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
CYP3A4 P08684 4/20 0.51
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
ALDH2 P05091 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51

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
SCHEMBL17992001 0.91 MAPT (0.49) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17992002 0.89 MAPT (0.58) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17988707 0.89 MIF (0.47) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17988677 0.88 MAPT (0.42) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17988711 0.81 STS (0.46) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17991997 0.77 RAB9A (0.51) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL15398984 0.77 RAB9A (0.54) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17988718 0.77 MAPT (0.53) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL571388 0.76 MAOA (0.71) KDM4EHSD17B10MAPTNPC1RAB9A
SCHEMBL17992014 0.75 STS (0.47) KDM4EHSD17B10MAPTNPC1RAB9A

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