SCHEMBL5134533

SCHEMBL5134533

OCCNCc1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.43
PPARG P37231 2/20 0.39
VSIR Q9H7M9 2/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL5046975 0.94 FFAR1 (0.41) FFAR1PPARGVSIRCSNK2A2CSNK2B
SCHEMBL5043948 0.89 FFAR1 (0.40) FFAR1PPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL5134536 0.87 VSIR (0.43) FFAR1PPARGVSIRCD274
SCHEMBL5134535 0.86 PRKCB (0.40) FFAR1PPARG
SCHEMBL5043913 0.84 FFAR1 (0.41) FFAR1PPARGVSIR
SCHEMBL5132461 0.83 PRMT5 (0.42) FFAR1PPARG
SCHEMBL5133476 0.80 HPGD (0.50) FFAR1
Hydrochloric Acid SCHEMBL3050162 0.75 AURKA (0.43) FFAR1PPARGVSIR
SCHEMBL5133013 0.73 CHEK1 (0.47) FFAR1
SCHEMBL15520640 0.72 CHEK1 (0.38) FFAR1PPARGVSIR

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-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed