SCHEMBL31362085

SCHEMBL31362085

N#Cc1ccc2c(c1)Oc1cc(C#N)ccc1N2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP2A6 P11509 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
PNMT P11086 1/20 0.35
PGR P06401 1/20 0.34

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
SCHEMBL28398312 1.00 SNCA (0.42) SNCAALOX5CYP2A6NOS3NOS1
SCHEMBL28403165 0.93 ALOX5 (0.41) SNCAALOX5CYP2A6NOS3NOS1
SCHEMBL30811535 0.91 ALOX5 (0.59) SNCAALOX5CCNB2CDK1CCNB1
SCHEMBL2484405 0.91 ALOX5 (0.59) SNCAALOX5CCNB2CDK1CCNB1
SCHEMBL21628225 0.89 SNCA (0.37) SNCAALOX5CYP2A6NOS3NOS1
SCHEMBL27344399 0.89 ALDH1A1 (0.44) SNCAALOX5CYP2A6NOS3NOS1
SCHEMBL27344400 0.85 SNCA (0.61) SNCACCNB2CDK1CCNB1GSK3B
SCHEMBL27344875 0.85 CHEK1 (0.44) ALOX5GSK3BPGR
SCHEMBL27344295 0.85 TDP1 (0.37) SNCAALOX5CYP2A6NOS3NOS1
SCHEMBL28404933 0.83 ABL1 (0.43) SNCAALOX5CYP2A6NOS3NOS1

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
CN-115919872-B Application of tricyclic compound and pharmaceutical composition containing tricyclic compound 中国药科大学 2025-02-07 CN disclosed