SCHEMBL9380841

SCHEMBL9380841

O=C(O)C=Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
LMNA P02545 1/20 0.63
AKR1C3 P42330 7/20 0.58
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
BACE1 P56817 2/20 0.56
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
PTGER1 P34995 1/20 0.51
APP P05067 3/20 0.51
HPGD P15428 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C1 Q04828 1/20 0.51
GSK3B P49841 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
SCHEMBL9380836 1.00 KDM4E (0.63) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL9380318 0.91 KDM4E (0.55) KDM4ELMNAAKR1C3ALDH1A1BACE1
SCHEMBL9380325 0.91 KDM4E (0.55) KDM4ELMNAAKR1C3ALDH1A1BACE1
SCHEMBL8786625 0.90 KDM4E (0.63) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL8786629 0.90 KDM4E (0.63) KDM4ELMNAAKR1C3ALDH1A1PKM
SCHEMBL9379221 0.89 BACE1 (0.58) KDM4ELMNAAKR1C3ALDH1A1BACE1
SCHEMBL9379228 0.89 BACE1 (0.58) KDM4ELMNAAKR1C3ALDH1A1BACE1
SCHEMBL25221692 0.86 MAOB (0.53) KDM4ELMNAALDH1A1BACE1APP
SCHEMBL16076972 0.86 MAOB (0.53) KDM4ELMNAALDH1A1BACE1APP
SCHEMBL8789901 0.84 KDM4E (0.60) KDM4ELMNAAKR1C3ALDH1A1PKM

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-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed