SCHEMBL5043948

SCHEMBL5043948

FCCNCc1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.40
PPARG P37231 3/20 0.37
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MARS1 P56192 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL5134533 0.89 FFAR1 (0.43) FFAR1PPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL5046975 0.87 FFAR1 (0.41) FFAR1PPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL5134535 0.86 PRKCB (0.40) FFAR1PPARG
SCHEMBL5043913 0.82 FFAR1 (0.41) FFAR1PPARGCYP1A2CYP2D6
SCHEMBL5132461 0.81 PRMT5 (0.42) FFAR1PPARG
SCHEMBL5134536 0.76 VSIR (0.43) FFAR1PPARG
SCHEMBL3041984 0.76 AURKA (0.41) FFAR1PPARG
SCHEMBL5133622 0.72 TERT (0.44) FFAR1CYP1A2
SCHEMBL5133476 0.71 HPGD (0.50) FFAR1
SCHEMBL5133013 0.71 CHEK1 (0.47) FFAR1

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