SCHEMBL4785148

SCHEMBL4785148

OCC1c2ccccc2CCN1c1nc(Cl)nc(-c2cccc(O)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
PIK3CA P42336 7/20 0.38
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
PFKFB3 Q16875 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL4783923 0.85 HRH4 (0.43) ESR1ESR2PIK3CAMTOR
SCHEMBL4784088 0.85 PIK3CA (0.43) ESR1ESR2PIK3CAMTOR
SCHEMBL4782297 0.85 PIK3CA (0.43) ESR1ESR2PIK3CAMTOR
SCHEMBL4784691 0.84 AOC3 (0.41) ESR1ESR2PIK3CAPFKFB3MTOR
SCHEMBL4783343 0.84 AOC3 (0.41) ESR1ESR2PIK3CAPFKFB3MTOR
SCHEMBL4782788 0.84 PIK3CA (0.42) ESR1ESR2PIK3CAPFKFB3MTOR
SCHEMBL4781438 0.84 ESR1 (0.37) ESR1ESR2PIK3CAPFKFB3PRMT5
SCHEMBL4884094 0.84 PIK3CA (0.44) ESR1ESR2PIK3CAPFKFB3MTOR
SCHEMBL4782724 0.84 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL4784160 0.84 PIK3CA (0.42) ESR1ESR2PIK3CAPFKFB3MTOR

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
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed