SCHEMBL8625517

SCHEMBL8625517

CNCc1cncc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 6/20 0.57
EPHX2 P34913 1/20 0.57
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
FDPS P14324 2/20 0.49
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
PDE10A Q9Y233 1/20 0.45
DYRK1A Q13627 1/20 0.43
HTR7 P34969 1/20 0.43
ATM Q13315 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5498490 0.83 NOS3 (0.49) PRMT6EPHX2CYP11B1CYP11B2NOS3
SCHEMBL8625514 0.82 CYP11B1 (0.50) PRMT6EPHX2CYP11B1CYP11B2FDPS
SCHEMBL29373657 0.82 FDPS (0.53) PRMT6EPHX2CYP11B1CYP11B2FDPS
SCHEMBL402768 0.82 FDPS (0.53) PRMT6EPHX2CYP11B1CYP11B2FDPS
SCHEMBL14079723 0.80 NOS3 (0.47) PRMT6EPHX2CYP11B1CYP11B2NOS3
SCHEMBL13778372 0.80 NOS3 (0.49) PRMT6EPHX2CYP11B1CYP11B2NOS3
SCHEMBL10271979 0.79 CYP11B1 (0.54) CYP11B1CYP11B2FDPSCYP3A4PDE10A
SCHEMBL3665839 0.79 PRMT6 (0.45) PRMT6EPHX2CYP11B1CYP11B2NOS3
SCHEMBL27649705 0.78 ADH1B (0.55) CYP11B1CYP11B2FDPSPDE10AATM
SCHEMBL1252083 0.77 PRMT6 (0.73) PRMT6EPHX2NOS1CYP3A4KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642303-B1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2021-04-14 EP disclosed
US-5767132-A CENTRAL NERVOUS SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-06-16 US disclosed