SCHEMBL9616331

SCHEMBL9616331

CCc1nc(C)c(C)c(=O)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1N

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
PTPN7 P35236 1/20 0.30
BLM P54132 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9309199 0.84 EDNRA (0.32)
SCHEMBL9318961 0.80 AGTR2 (0.37)
SCHEMBL9309363 0.79 EDNRA (0.37)
SCHEMBL9656012 0.78
SCHEMBL9710524 0.78 AGTR2 (0.31)
SCHEMBL9616314 0.78 AGTR1 (0.35)
SCHEMBL9655661 0.78
SCHEMBL9675466 0.77 KDM4E (0.37) HSD17B10
SCHEMBL9311392 0.77 AGTR1 (0.38)
SCHEMBL9309041 0.76

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-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed