SCHEMBL22853145

SCHEMBL22853145

COc1ccc(NC(=O)c2cc(C(F)(F)F)cnc2Nc2ccc(F)c(F)c2C)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 3/20 0.41
▸ DHODH Q02127 2/20 0.40
▸ SORT1 Q99523 5/20 0.39
▸ P2RX7 Q99572 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK3 P27361 2/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ POLQ O75417 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL30294498 1.00 SCN10A (0.41) SCN10ADHODHSORT1P2RX7MAPT
SCHEMBL30294778 0.88 SORT1 (0.46) SCN10ADHODHSORT1MAPTNPC1
SCHEMBL22853203 0.88 SORT1 (0.46) SCN10ADHODHSORT1MAPTNPC1
SCHEMBL22853062 0.88 DHODH (0.47) SCN10ADHODHSORT1MAPTNPC1
SCHEMBL30294556 0.88 DHODH (0.47) SCN10ADHODHSORT1MAPTNPC1
SCHEMBL22833774 0.87 SCN10A (0.41) SCN10ADHODHSORT1MAPTNPC1
SCHEMBL29382605 0.87 SCN10A (0.41) SCN10ADHODHSORT1MAPTNPC1
SCHEMBL22852910 0.87 SORT1 (0.46) SCN10ADHODHSORT1P2RX7MAPT
SCHEMBL30294376 0.87 SORT1 (0.46) SCN10ADHODHSORT1P2RX7MAPT
SCHEMBL22853060 0.87 TOP1 (0.47) DHODHSORT1MAPTNPC1ALDH1A1

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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