SCHEMBL7940302

SCHEMBL7940302

CNCc1ccc(NC)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
NNMT P40261 1/20 0.43
CPB2 Q96IY4 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CD274 Q9NZQ7 1/20 0.38
F10 P00742 1/20 0.36
NCF1 P14598 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
EPHX2 P34913 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL2567666 0.84 KDM4E (0.41) NNMTLOXL2ADRB2CYP3A4KDM4E
SCHEMBL22255185 0.82 HCAR3 (0.41) HCAR3NNMTCPB2CYP3A4MAPT
SCHEMBL20666278 0.81 CPB2 (0.41) HCAR3NNMTCPB2CYP3A4MAPT
SCHEMBL12020150 0.81 HCAR3 (0.46) HCAR3NNMTCPB2KDM4ECYP11B1
SCHEMBL13456505 0.80 NUDT1 (0.42) LOXL2ADRB2CYP3A4KDM4EMAPT
SCHEMBL1570175 0.79 HCAR3 (0.48) HCAR3NNMTCPB2KDM4EMAPT
SCHEMBL479854 0.79 NNMT (0.47) HCAR3NNMTCPB2LOXL2ADRB2
SCHEMBL1570177 0.79 HCAR3 (0.48) HCAR3NNMTCPB2MAPTCYP11B1
SCHEMBL12881954 0.78 HCAR3 (0.43) HCAR3NNMTCPB2CYP3A4KDM4E
SCHEMBL19080615 0.77 HCAR3 (0.41) HCAR3CPB2LOXL2ADRB2CD274

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-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO disclosed