SCHEMBL27673196

SCHEMBL27673196

COC(=O)C1=C(C)N(O)C(C)=C(C(=O)O)C1(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 5/20 0.40
HIF1A Q16665 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
THPO P40225 1/20 0.40
NR3C2 P08235 1/20 0.39
SLC6A4 P31645 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10598277 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHIF1A
SCHEMBL23079125 0.76 HIF1A (0.60) MEN1KMT2AMAPTHIF1ACYP1A2
Hydrochloric Acid SCHEMBL10706896 0.75 ADRA1A (0.36) MEN1KMT2AALDH1A1MAPTHIF1A
SCHEMBL9102109 0.72 TP53 (0.47) ALDH1A1MAPTLMNATSHRTP53
SCHEMBL10652750 0.71 MAPT (0.61) MEN1KMT2AMAPTHIF1ACYP1A2
SCHEMBL7044711 0.70 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHIF1A
SCHEMBL10652739 0.70 CYP1A2 (0.66) MEN1KMT2AMAPTHIF1ACYP1A2
SCHEMBL9033423 0.69 MAPT (0.42) MEN1KMT2AALDH1A1MAPTHIF1A
SCHEMBL4756165 0.69 TP53 (0.43) MEN1KMT2AALDH1A1MAPTHIF1A
SCHEMBL4882577 0.69 CYP2C9 (0.44) MEN1KMT2AALDH1A1MAPTHIF1A

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-85107590-A Production of dextrorotatory optical isomer of YM-09730 diastereomer A 1986-07-23 CN disclosed