SCHEMBL3124704

SCHEMBL3124704

Cc1c(Oc2cccc(N)c2)c(=O)oc2cc(-c3nccc(=O)[nH]3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
MAP2K1 Q02750 3/20 0.35
STS P08842 1/20 0.35
MAOB P27338 3/20 0.35
RAF1 P04049 2/20 0.33
HPGD P15428 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL964190 0.80 KDM4E (0.55) ACHEMAP2K1STSMAOBRAF1
SCHEMBL3124713 0.79 ACHE (0.42) ACHEMAP2K1STSMAOBRAF1
SCHEMBL961248 0.77 HSD17B3 (0.55) ACHEHPGD
SCHEMBL12521082 0.70 HSD17B3 (0.53) ACHEHPGD
SCHEMBL960510 0.67 KDM4E (0.49) ACHEMAP2K1STSMAOBRAF1
SCHEMBL959803 0.64 HSD17B3 (0.51) ACHEHPGD
SCHEMBL960703 0.63 MAP2K1 (0.70) ACHEMAP2K1STSRAF1HPGD
SCHEMBL12702266 0.63 KDM4E (0.51) ACHEMAP2K1STSMAOBRAF1
SCHEMBL959085 0.63 MAP2K1 (0.53) ACHEMAP2K1MAOBRAF1HPGD
SCHEMBL31980592 0.63 MAP2K1 (0.70) ACHEMAP2K1STSRAF1HPGD

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
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed