SCHEMBL22853243

SCHEMBL22853243

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.47
▸ SORT1 Q99523 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ P2RX1 P51575 1/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SCN10A Q9Y5Y9 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SLC20A2 Q08357 1/20 0.40
▸ SLC20A1 Q8WUM9 1/20 0.40

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
SCHEMBL30294361 1.00 SCN8A (0.47) SCN8ASORT1MAPTKDM4EMAPK1
SCHEMBL30294814 0.93 SORT1 (0.43) SCN8ASORT1MAPTKDM4EMAPK1
SCHEMBL22853196 0.93 SORT1 (0.43) SCN8ASORT1MAPTKDM4EMAPK1
SCHEMBL22853497 0.91 MEN1 (0.47) SCN8ASORT1MAPTKDM4EMAPK1
SCHEMBL30294304 0.91 MEN1 (0.47) SCN8ASORT1MAPTKDM4EMAPK1
SCHEMBL22853425 0.90 SCN8A (0.47) SCN8ASORT1KDM4ERXFP1SCN10A
SCHEMBL29382977 0.90 SCN8A (0.47) SCN8ASORT1KDM4ERXFP1SCN10A
SCHEMBL22853186 0.88 SORT1 (0.46) SCN8ASORT1KDM4EDHODHRXFP1
SCHEMBL30294526 0.88 SORT1 (0.46) SCN8ASORT1KDM4EDHODHRXFP1
SCHEMBL22852910 0.84 SORT1 (0.46) SCN8ASORT1MAPTKDM4EMAPK1

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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