SCHEMBL22853102

SCHEMBL22853102

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.56
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 2/20 0.46
GAA P10253 1/20 0.46
ABL1 P00519 1/20 0.46
EPHX1 P07099 1/20 0.45
APAF1 O14727 1/20 0.45
CASP6 P55212 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL30294527 1.00 KCNMA1 (0.56) KCNMA1MEN1KMT2AMAPTHSP90AA1
SCHEMBL30294446 0.90 LMNA (0.52) KCNMA1MEN1KMT2AMAPTHTT
SCHEMBL30294462 0.89 KCNMA1 (0.56) KCNMA1MEN1KMT2AMAPTLMNA
SCHEMBL22853477 0.89 KCNMA1 (0.56) KCNMA1MEN1KMT2AMAPTLMNA
SCHEMBL30294465 0.89 KCNMA1 (0.56) KCNMA1MEN1KMT2AMAPTLMNA
SCHEMBL22853031 0.85 KMT2A (0.51) KCNMA1MEN1KMT2AMAPTLMNA
SCHEMBL30294853 0.85 KMT2A (0.51) KCNMA1MEN1KMT2AMAPTLMNA
SCHEMBL1095516 0.82 MEN1 (0.64) KCNMA1MEN1KMT2AMAPTHTT
SCHEMBL29812845 0.82 MEN1 (0.64) KCNMA1MEN1KMT2AMAPTHTT
SCHEMBL19075923 0.81 CYP46A1 (0.53) KMT2AMAPTHSP90AA1HTTNPSR1

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