SCHEMBL19362007

SCHEMBL19362007

Cc1c(-c2ccc(C(=O)C(=O)c3ccccc3)cc2)ccc(N)c1N

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 0.49
CES1 P23141 11/20 0.49
RAB9A P51151 1/20 0.41
HDAC2 Q92769 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6834129 0.81 HSD17B10 (0.48) MAPTTDP1
Biphenyl SCHEMBL17969155 0.79 HSD17B10 (0.46) HDAC2MAPTTDP1
SCHEMBL3976631 0.74 LTA4H (0.41) MAPT
SCHEMBL4849742 0.71 ALDH1A1 (0.51) MAPT
SCHEMBL3619161 0.71 MYC (0.53) RAB9AMAPT
SCHEMBL11312963 0.71 CES2 (0.83) CES2CES1RAB9AMAPT
SCHEMBL3976718 0.71 ALDH1A1 (0.40) RAB9AMAPTTDP1
SCHEMBL17829925 0.70 BCAT2 (0.56) MAPT
SCHEMBL4671318 0.70 PDE4A (0.44) HDAC2
SCHEMBL27775806 0.70 MAPT (0.47) HDAC2MAPTTDP1

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-9763938-B2 Substituted quinoxalines as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-09-19 US disclosed