SCHEMBL22853196

SCHEMBL22853196

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 4/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SCN8A Q9UQD0 3/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ PPARG P37231 1/20 0.38

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
SCHEMBL30294814 1.00 SORT1 (0.43) SORT1MEN1LMNAKMT2ASCN8A
SCHEMBL30294361 0.93 SCN8A (0.47) SORT1SCN8ASCN10AMAPTKDM4E
SCHEMBL22853243 0.93 SCN8A (0.47) SORT1SCN8ASCN10AMAPTKDM4E
SCHEMBL22853425 0.87 SCN8A (0.47) SORT1SCN8ASCN10AKDM4EHPGD
SCHEMBL29382977 0.87 SCN8A (0.47) SORT1SCN8ASCN10AKDM4EHPGD
SCHEMBL22853186 0.85 SORT1 (0.46) SORT1SCN8ASCN10AKDM4EHPGD
SCHEMBL30294526 0.85 SORT1 (0.46) SORT1SCN8ASCN10AKDM4EHPGD
SCHEMBL22853497 0.84 MEN1 (0.47) SORT1MEN1LMNAKMT2ASCN8A
SCHEMBL30294304 0.84 MEN1 (0.47) SORT1MEN1LMNAKMT2ASCN8A
SCHEMBL22853203 0.82 SORT1 (0.46) SORT1SCN10AMAPTDHODH

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
Send feedback