SCHEMBL22853497

SCHEMBL22853497

COc1ccc(Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(OC)nc2C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TOP1 P11387 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ AHR P35869 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SCN8A Q9UQD0 2/20 0.44
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ SCN10A Q9Y5Y9 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
SCHEMBL30294304 1.00 MEN1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22853243 0.91 SCN8A (0.47) MAPTKDM4EALDH1A1MAPK1SORT1
SCHEMBL30294361 0.91 SCN8A (0.47) MAPTKDM4EALDH1A1MAPK1SORT1
SCHEMBL30294649 0.90 RXFP1 (0.48) KDM4ESORT1RXFP1SCN8ASCN10A
SCHEMBL22853494 0.90 RXFP1 (0.48) KDM4ESORT1RXFP1SCN8ASCN10A
SCHEMBL22853196 0.84 SORT1 (0.43) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL30294814 0.84 SORT1 (0.43) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL22852910 0.83 SORT1 (0.46) KMT2AMAPTKDM4EALDH1A1MAPK1
SCHEMBL22853425 0.83 SCN8A (0.47) KDM4ESORT1RXFP1SCN8ASCN10A
SCHEMBL22853186 0.83 SORT1 (0.46) KDM4EALDH1A1SMN1; SMN2SORT1RXFP1

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-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
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