SCHEMBL22853149

SCHEMBL22853149

COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)cc2C(C)C)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 2/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ SCN8A Q9UQD0 5/20 0.41
▸ SCN10A Q9Y5Y9 5/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ LCLAT1 Q6UWP7 1/20 0.37

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
SCHEMBL30294780 1.00 SORT1 (0.43) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL22853037 0.94 NTRK1 (0.44) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL30294521 0.94 NTRK1 (0.44) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL22853123 0.92 DHODH (0.41) DHODHKDM4EHPGD
SCHEMBL30294667 0.92 DHODH (0.41) DHODHKDM4EHPGD
SCHEMBL29382977 0.89 SCN8A (0.47) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL22853425 0.89 SCN8A (0.47) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL22853494 0.88 RXFP1 (0.48) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL30294649 0.88 RXFP1 (0.48) SORT1NTRK1NTRK2SCN8ASCN10A
SCHEMBL22852813 0.88 SCN10A (0.40) SORT1NTRK1NTRK2SCN10ADHODH

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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