SCHEMBL22853031

SCHEMBL22853031

COC(=O)c1cc(Cl)ccc1Nc1ccc(F)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN8A Q9UQD0 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
KCNMA1 Q12791 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APAF1 O14727 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
CASP8 Q14790 1/20 0.44

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
SCHEMBL30294853 1.00 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL22852839 0.90 KDM4E (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL30294352 0.90 KDM4E (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL22853333 0.86 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL22853102 0.85 KCNMA1 (0.56) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL31521818 0.85 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL30294527 0.85 KCNMA1 (0.56) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL30294920 0.84 KDM4E (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL22853100 0.84 KDM4E (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL30294916 0.84 KDM4E (0.46) KMT2AMEN1ALDH1A1MAPTHPGD

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