SCHEMBL20828389

SCHEMBL20828389

CN(C)Cc1ccc(C(=O)Nc2ccc(-c3nnc(COc4cccc(C(F)(F)F)c4)[nH]3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ GAA P10253 3/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 1/20 0.43
▸ MCHR1 Q99705 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20828516 0.90 RAB9A (0.50) FFAR1RAB9ARAF1BRAFMAPK14
SCHEMBL20828525 0.86 RAB9A (0.45) FFAR1RAB9ABRAFGAAPTPN1
SCHEMBL20828529 0.84 HIF1A (0.46) FFAR1RAB9AHIF1AEPAS1GAA
SCHEMBL20828380 0.83 CSF1R (0.47) FFAR1RAB9AGAAPLGPLAU
SCHEMBL20828384 0.80 RXFP1 (0.47) FFAR1MEN1KMT2APOLBRXFP1
SCHEMBL20828477 0.78 RXFP1 (0.45) FFAR1RAB9APLAUMAPTTRPV1
SCHEMBL20828451 0.74 BRAF (0.44) RAB9ARAF1BRAFMAPK14ROCK2
SCHEMBL20828481 0.74 FFAR1 (0.45) FFAR1RAB9ARAF1BRAFMAPK14
SCHEMBL22237402 0.73 LMNA (0.52) L3MBTL1POLB
SCHEMBL20828420 0.71 DGAT1 (0.47) RAB9AGAAROCK2MAPTMEN1

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-2019054430-A1 AMIDE COMPOUND HAVING AROMATIC HETEROCYCLE 第一三共株式会社 2019-03-21 — — WO disclosed
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