SCHEMBL22237402

SCHEMBL22237402

Nc1ccc(-c2nnc(COc3cccc(C(F)(F)F)c3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAOB P27338 7/20 0.51
▸ HRH1 P35367 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.45
▸ AOC3 Q16853 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL20828384 0.78 RXFP1 (0.47) MAOBMRGPRX4KDM4EPOLB
SCHEMBL20828525 0.75 RAB9A (0.45) L3MBTL1CHEK2POLB
SCHEMBL20828380 0.74 CSF1R (0.47) L3MBTL1
SCHEMBL30602662 0.74 L3MBTL1 (0.50) LMNAPKMHSD17B10MAOBL3MBTL1
SCHEMBL20832626 0.74 L3MBTL1 (0.50) LMNAPKMHSD17B10MAOBL3MBTL1
SCHEMBL20828389 0.73 FFAR1 (0.46) L3MBTL1POLB
SCHEMBL4640143 0.70 MAOB (0.76) MAOBL3MBTL1MRGPRX4POLB
SCHEMBL31172140 0.70 MAOB (0.76) MAOBL3MBTL1MRGPRX4POLB
SCHEMBL24968507 0.69 MAOB (0.55) LMNAPKMHSD17B10MAOBAOC3
SCHEMBL30152319 0.69 MAOB (0.55) LMNAPKMHSD17B10MAOBAOC3

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-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 — — EP disclosed
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