SCHEMBL22853477

SCHEMBL22853477

COc1cc(C)ccc1Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.56
KDM4E B2RXH2 3/20 0.54
APAF1 O14727 1/20 0.54
RECQL P46063 1/20 0.54
CASP6 P55212 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
MCL1 Q07820 1/20 0.54
CASP8 Q14790 1/20 0.54
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.51
HPGD P15428 2/20 0.51
AKR1C3 P42330 1/20 0.51

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
SCHEMBL30294462 1.00 KCNMA1 (0.56) KCNMA1KDM4EAPAF1RECQLCASP6
SCHEMBL30294465 1.00 KCNMA1 (0.56) KCNMA1KDM4EAPAF1RECQLCASP6
SCHEMBL22853102 0.89 KCNMA1 (0.56) KCNMA1KDM4EAPAF1RECQLCASP6
SCHEMBL30294527 0.89 KCNMA1 (0.56) KCNMA1KDM4EAPAF1RECQLCASP6
SCHEMBL22852839 0.85 KDM4E (0.54) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL30294352 0.85 KDM4E (0.54) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL30294446 0.85 LMNA (0.52) KCNMA1KDM4ERECQLLMNAMEN1
SCHEMBL9953672 0.83 KDM4E (0.72) KDM4EAPAF1RECQLCASP6CACNA1B
SCHEMBL48961 0.81 MRGPRX4 (0.64) KCNMA1KDM4ELMNAMEN1KMT2A
SCHEMBL30100412 0.81 MRGPRX4 (0.64) KCNMA1KDM4ELMNAMEN1KMT2A

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