SCHEMBL30968499

SCHEMBL30968499

COC(=O)c1cnc2c(c1)CCCN2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.68
PIK3C3 Q8NEB9 1/20 0.41
CYP11B2 P19099 1/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PSMD14 O00487 1/20 0.37
SPR P35270 1/20 0.37
OGA O60502 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
GAA P10253 1/20 0.36
CXCR4 P61073 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
SCHEMBL20722588 1.00 NNMT (0.68) NNMTPIK3C3CYP11B2MAPK1ATM
SCHEMBL21772832 0.96 NNMT (0.62) NNMTPIK3C3CYP11B2MAPK1ATM
SCHEMBL13332908 0.91 NNMT (0.66) NNMTPIK3C3MAPK1ATMKDM4E
SCHEMBL16196125 0.86 CYP11B2 (0.57) NNMTPIK3C3CYP11B2ATM
SCHEMBL22226923 0.85 NNMT (0.63) NNMTMAPK1KDM4EALDH1A1GAA
SCHEMBL5306512 0.82 NNMT (0.75) NNMTPIK3C3KDM4EMAPTOGA
SCHEMBL22226925 0.81 NNMT (0.58) NNMTKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL25787747 0.81 NNMT (1.00) NNMTPIK3C3CYP11B2KDM4EMAPT
SCHEMBL22225953 0.80 NNMT (0.43) NNMTMAPK1ATMKDM4EL3MBTL1
SCHEMBL15878795 0.79 GRM5 (0.45) NNMTMAPK1ATMKDM4EL3MBTL1

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed