SCHEMBL22853481

SCHEMBL22853481

COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)cc2Br)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 2/20 0.45
▸ NTRK1 P04629 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SCN8A Q9UQD0 5/20 0.42
▸ SCN10A Q9Y5Y9 5/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ LIPE Q05469 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
SCHEMBL30294346 1.00 SORT1 (0.45) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL30660295 0.91 SORT1 (0.46) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL26931133 0.91 SORT1 (0.46) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL22853425 0.90 SCN8A (0.47) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL29382977 0.90 SCN8A (0.47) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL22853494 0.90 RXFP1 (0.48) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL30294649 0.90 RXFP1 (0.48) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL30294880 0.88 SORT1 (0.44) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL30660537 0.87 SORT1 (0.42) SORT1NTRK1NTRK2RXFP1KDM4E
SCHEMBL26931095 0.87 SORT1 (0.42) SORT1NTRK1NTRK2RXFP1KDM4E

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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