SCHEMBL17992001

SCHEMBL17992001

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
STS P08842 1/20 0.46
XDH P47989 1/20 0.45
KDM4E B2RXH2 5/20 0.44
TP53 P04637 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 3/20 0.44
ALDH2 P05091 6/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
POLB P06746 1/20 0.43
HMGB1 P09429 1/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 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
SCHEMBL17992002 0.94 MAPT (0.58) MAPTNPC1RAB9ASTSXDH
SCHEMBL17988674 0.91 KDM4E (0.56) MAPTNPC1RAB9AXDHKDM4E
SCHEMBL17988707 0.89 MIF (0.47) MAPTNPC1RAB9ASTSXDH
SCHEMBL17988677 0.88 MAPT (0.42) MAPTNPC1RAB9ASTSXDH
SCHEMBL17992014 0.85 STS (0.47) MAPTNPC1RAB9ASTSXDH
SCHEMBL15398984 0.84 RAB9A (0.54) MAPTNPC1RAB9ASTSXDH
SCHEMBL17991997 0.83 RAB9A (0.51) MAPTNPC1RAB9AXDHKDM4E
SCHEMBL17991994 0.82 MAPT (0.50) MAPTNPC1RAB9ASTSXDH
SCHEMBL17991984 0.81 STS (0.56) MAPTNPC1RAB9ASTSXDH
SCHEMBL17988711 0.81 STS (0.46) MAPTNPC1RAB9ASTSXDH

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