SCHEMBL22853177

SCHEMBL22853177

COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2c(C)cccc2F)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 6/20 0.51
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SCN8A Q9UQD0 2/20 0.42
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ PTGES O14684 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ LCLAT1 Q6UWP7 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
SCHEMBL30294825 1.00 SORT1 (0.51) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL22853070 0.89 SORT1 (0.46) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL30294869 0.89 SORT1 (0.46) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL22853186 0.86 SORT1 (0.46) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL30294526 0.86 SORT1 (0.46) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL22853181 0.84 SORT1 (0.52) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL22852910 0.84 SORT1 (0.46) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL30294376 0.84 SORT1 (0.46) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL22853425 0.84 SCN8A (0.47) SORT1KDM4EHPGDSCN8ASCN10A
SCHEMBL29382977 0.84 SCN8A (0.47) SORT1KDM4EHPGDSCN8ASCN10A

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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