SCHEMBL28200751

SCHEMBL28200751

NNP(=O)(O)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.47
MMP2 P08253 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
F2 P00734 1/20 0.44
ALOX15 P16050 1/20 0.44
ACP3 P15309 1/20 0.43

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
SCHEMBL1759204 0.83 CA1 (0.64) MEN1KMT2ACA12MMP2CA1
SCHEMBL1759207 0.83 CA1 (0.64) MEN1KMT2ACA12MMP2CA1
SCHEMBL6006252 0.83 CES2 (0.64) MEN1KMT2ACA12MMP2CA1
SCHEMBL28200119 0.81 CA2 (0.67) MEN1KMT2ACA12MMP2CA1
SCHEMBL28058604 0.81 CES2 (0.53) MEN1KMT2ACA12MMP2CA1
SCHEMBL5487184 0.79 TSHR (0.57) MEN1KMT2ACA1CA2TSHR
SCHEMBL28058502 0.77 TSHR (0.50) MEN1KMT2ACA1CA2TSHR
SCHEMBL28574633 0.77 MEN1 (0.53) MEN1KMT2ACA12MMP2CA1
SCHEMBL27666671 0.77 NPSR1 (0.53) MEN1KMT2ACA12MMP2CA1
SCHEMBL28033984 0.76 TSHR (0.53) MEN1KMT2ATSHRLMNANPSR1

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-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed