SCHEMBL28654763

SCHEMBL28654763

N#Cc1ccc2c(c1)CC(OC(N)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.40
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.37
KDM1A O60341 2/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NAMPT P43490 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
USP30 Q70CQ3 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL23500743 0.78 DRD2 (0.40) PNMTDRD2NAMPT
SCHEMBL28972016 0.78 PSEN1 (0.40)
SCHEMBL27689519 0.76 PNMT (0.40) PNMT
SCHEMBL28445305 0.76 PNMT (0.36) PNMT
SCHEMBL30685660 0.75 IDO1 (0.54)
SCHEMBL29593839 0.73 PNMT (0.49) PNMTDRD2DRD3KDM1A
SCHEMBL4735015 0.73 PNMT (0.49) PNMTDRD2DRD3KDM1A
SCHEMBL28448081 0.73 PNMT (0.43) PNMT
SCHEMBL29187437 0.72 LRRK2 (0.45) PNMTDRD2DRD3KDM1A
SCHEMBL29187438 0.72 LRRK2 (0.45) PNMTDRD2DRD3KDM1A

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-113710663-A Modulators of MYC family proto-oncogene proteins 纳罗医疗公司 2021-11-26 CN disclosed