SCHEMBL22853416

SCHEMBL22853416

COC(=O)c1cc(C(F)(F)F)ccc1Nc1ccc(OC(F)F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ SCN8A Q9UQD0 2/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ LMNA P02545 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ P2RX7 Q99572 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
SCHEMBL30294604 1.00 CFTR (0.46) CFTRTAS2R14SCN8ASCN10ALMNA
SCHEMBL30294684 0.91 CFTR (0.48) CFTRTAS2R14SCN8ASCN10AMAPT
SCHEMBL22852810 0.91 CFTR (0.48) CFTRTAS2R14SCN8ASCN10AMAPT
SCHEMBL22852863 0.89 TAS2R14 (0.53) TAS2R14SCN8ASCN10ALMNAKMT2A
SCHEMBL30294567 0.89 TAS2R14 (0.53) TAS2R14SCN8ASCN10ALMNAKMT2A
SCHEMBL22853395 0.89 DHODH (0.49) CFTRTAS2R14SCN8ASCN10AMAPT
SCHEMBL30294511 0.89 DHODH (0.49) CFTRTAS2R14SCN8ASCN10AMAPT
SCHEMBL22833864 0.83 CFTR (0.50) CFTRTAS2R14SCN8ASCN10ADHODH
SCHEMBL29383454 0.83 CFTR (0.50) CFTRTAS2R14SCN8ASCN10ADHODH
SCHEMBL22852849 0.81 TAS2R14 (0.54) TAS2R14DHODH

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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