SCHEMBL5046975

SCHEMBL5046975

OCCCNCc1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
PPARG P37231 2/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MARS1 P56192 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
VSIR Q9H7M9 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
SCHEMBL5134533 0.94 FFAR1 (0.43) FFAR1PPARGCSNK2A2CSNK2BCSNK2A1
SCHEMBL5043948 0.87 FFAR1 (0.40) FFAR1PPARGMARS1CSNK2A2CSNK2B
SCHEMBL5134535 0.84 PRKCB (0.40) FFAR1PPARGALDH1A1
SCHEMBL5043913 0.82 FFAR1 (0.41) FFAR1PPARGKDM4EPOLBALDH1A1
SCHEMBL5134536 0.81 VSIR (0.43) FFAR1PPARGKDM4EPOLBALDH1A1
SCHEMBL5132461 0.81 PRMT5 (0.42) FFAR1PPARGHPGD
SCHEMBL3046600 0.77 KDR (0.45) FFAR1PPARGMARS1
SCHEMBL5133476 0.76 HPGD (0.50) FFAR1KDM4EPOLBALDH1A1HPGD
SCHEMBL5133013 0.71 CHEK1 (0.47) FFAR1KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL3050162 0.69 AURKA (0.43) FFAR1PPARGKMT2AVSIR

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