SCHEMBL20828516

SCHEMBL20828516

CN(C)Cc1ccc(C(=O)Nc2ccc(-c3nnc(COc4cccc(C(F)(F)F)c4)[nH]3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.50
▸ GAA P10253 4/20 0.48
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ FFAR1 O14842 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ KCNQ1 P51787 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL20828389 0.90 FFAR1 (0.46) RAB9AGAAMAPTMAPK1L3MBTL1
SCHEMBL20828525 0.76 RAB9A (0.45) RAB9AGAAMAPTMAPK1L3MBTL1
SCHEMBL20828380 0.76 CSF1R (0.47) RAB9AGAAMAPTMAPK1L3MBTL1
SCHEMBL20828529 0.75 HIF1A (0.46) RAB9AGAAMAPTFFAR1HIF1A
SCHEMBL20828451 0.71 BRAF (0.44) RAB9ARAF1BRAFMAPK14ROCK2
SCHEMBL20828384 0.70 RXFP1 (0.47) FFAR1KDM4EMEN1KMT2A
SCHEMBL20828477 0.69 RXFP1 (0.45) RAB9AMAPTFFAR1KDM4E
SCHEMBL20828481 0.68 FFAR1 (0.45) RAB9AFFAR1RAF1BRAFMAPK14
SCHEMBL5934735 0.66 P4HTM (0.56) RAB9AMAPTMAPK1L3MBTL1KDM4E
SCHEMBL14083005 0.66 MAPT (0.53) RAB9AMAPTMAPK14KDM4EMEN1

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
Send feedback