SCHEMBL8069112

SCHEMBL8069112

Nc1cc(N2CCNCC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.71
LMNA P02545 3/20 0.71
GAA P10253 1/20 0.71
ALDH1A1 P00352 9/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
RECQL P46063 1/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.52
MAPK1 P28482 3/20 0.51
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL521692 0.87 MAPT (0.76) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8071105 0.87 MAPT (0.68) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8069380 0.85 MAPT (0.69) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8069195 0.85 MAPT (0.69) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL459968 0.83 MAPT (0.76) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL3936400 0.83 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL3925665 0.83 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7546017 0.83 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL458482 0.81 MAPT (0.56) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL10995495 0.81 MAPT (0.59) MAPTLMNAGAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103004799-B Application of benzofuroxan derivative to resisting plant pathogenic fungi UNIV SOOCHOW 2014-12-31 CN disclosed
CN-103004799-A Application of benzofuroxan derivative to resisting plant pathogenic fungi UNIV SOOCHOW 2013-04-03 CN disclosed
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed