SCHEMBL22853430

SCHEMBL22853430

COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2cc(F)cc(F)c2C)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 6/20 0.45
▸ NTRK1 P04629 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ HPGD P15428 2/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LCLAT1 Q6UWP7 1/20 0.38
▸ SCN8A Q9UQD0 2/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 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
SCHEMBL30294432 1.00 SORT1 (0.45) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL30294376 0.89 SORT1 (0.46) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL22852910 0.89 SORT1 (0.46) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL22853070 0.88 SORT1 (0.46) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL30294869 0.88 SORT1 (0.46) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL22853186 0.87 SORT1 (0.46) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL30294526 0.87 SORT1 (0.46) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL22853425 0.87 SCN8A (0.47) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL29382977 0.87 SCN8A (0.47) SORT1NTRK1NTRK2KDM4EHPGD
SCHEMBL22853494 0.86 RXFP1 (0.48) SORT1NTRK1NTRK2KDM4EHPGD

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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