SCHEMBL9206594

SCHEMBL9206594

O=[N+]([O-])c1[c]ccc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
APP P05067 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
CYP19A1 P11511 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL8650141 0.85 CYP19A1 (0.35) MAPTLMNACYP19A1POLBKMT2A
SCHEMBL6194176 0.84 TDP1 (0.38) MAPTCYP19A1POLBKMT2AMEN1
SCHEMBL15208829 0.84 POLB (0.34) MAPTCYP19A1POLBALDH1A1KMT2A
SCHEMBL6191703 0.84 AHR (0.38) MAPTLMNACYP19A1POLBMAPK1
SCHEMBL5631988 0.84 HPRT1 (0.47) MAPTLMNAPOLBMAPK1ALDH1A1
SCHEMBL3296222 0.84 CRHBP (0.49) MAPTLMNACYP19A1POLBMAPK1
SCHEMBL6190789 0.83 LMNA (0.52) MAPTLMNACYP19A1POLBALDH1A1
SCHEMBL15639645 0.81 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL15640033 0.81 CA12 (0.43) CA12CA1CA2CA9CA14
SCHEMBL28952404 0.81 HSD17B10 (0.47) CA12CA1CA2CA9CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655064-A1 CHROMOGENIC REAGENTS THE UNIVERSITY OF LIVERPOOL (GB) 1995-05-31 EP disclosed
WO-1994004539-A9 CHROMOGENIC REAGENTS 1995-02-23 WO disclosed
WO-1994004539-A1 CHROMOGENIC REAGENTS THE UNIVERSITY OF LIVERPOOL (GB) 1994-03-03 WO disclosed