SCHEMBL17992002

SCHEMBL17992002

COc1ccc2c(=O)c(-c3ccc(OS(=O)(=O)O)c(N=NN(C)C)c3)coc2c1

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 6/20 0.58
XDH P47989 1/20 0.53
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 3/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.49
HSD17B10 Q99714 3/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
BCL2 P10415 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 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
SCHEMBL17992001 0.94 MAPT (0.49) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17988674 0.89 KDM4E (0.56) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17988707 0.87 MIF (0.47) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17988677 0.86 MAPT (0.42) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL15398984 0.85 RAB9A (0.54) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17991994 0.84 MAPT (0.50) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17991997 0.83 RAB9A (0.51) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17991998 0.82 MAPT (0.65) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17992014 0.80 STS (0.47) MAPTRAB9ANPC1XDHKDM4E
SCHEMBL17988711 0.80 STS (0.46) MAPTRAB9ANPC1XDHKDM4E

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