SCHEMBL29946151

SCHEMBL29946151

COC(=O)c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
VCAM1 P19320 1/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
ATM Q13315 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.50
PKM P14618 1/20 0.49
AKR1C4 P17516 1/20 0.49

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
SCHEMBL1291038 1.00 MAPK1 (0.59) MAPK1VCAM1ALDH1A1HPGDMAPT
SCHEMBL1067197 0.88 ERN1 (0.56) MAPK1VCAM1ALDH1A1HPGDMAPT
SCHEMBL2720856 0.87 LMNA (0.66) VCAM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL11015712 0.86 MAPT (0.55) MAPK1VCAM1ALDH1A1HPGDMAPT
SCHEMBL5734347 0.85 VCAM1 (0.68) VCAM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL6170431 0.83 KMT2A (0.60) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL29433264 0.82 XDH (0.61) VCAM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4753199 0.82 VCAM1 (0.60) VCAM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL223930 0.82 XDH (0.61) VCAM1ALDH1A1HPGDMAPTKDM4E
SCHEMBL1890677 0.82 TSHR (0.68) VCAM1ALDH1A1HPGDMAPTKDM4E

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
CN-119968371-A Novel PRMT5 inhibitor and application thereof 上海湃隆生物科技有限公司 2025-05-09 CN disclosed
WO-2022184849-A1 GLP-1R AGONISTS, USES AND PHARMACEUTICAL COMPOSITIONS THEREOF LES LABORATOIRES SERVIER (FR) 2022-09-09 WO disclosed