SCHEMBL7544551

SCHEMBL7544551

COc1ccc(CNc2ncnc3ccc(Cl)cc23)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.61
MAPK1 P28482 3/20 0.59
HTT P42858 4/20 0.56
RAF1 P04049 1/20 0.56
PDE5A O76074 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 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
SCHEMBL7504811 0.89 EGFR (0.61) MAPK1HTTPDE5AMEN1KMT2A
SCHEMBL7495957 0.86 MEN1 (0.57) STAT1MAPK1HTTPDE5AMEN1
SCHEMBL7500245 0.85 STAT1 (0.83) STAT1MAPK1HTTRAF1PDE5A
SCHEMBL4725990 0.84 MAPK1 (0.59) STAT1MAPK1HTTRAF1PDE5A
Hydrochloric Acid SCHEMBL27452405 0.83 STAT1 (0.69) STAT1MAPK1HTTRAF1PDE5A
SCHEMBL7500128 0.82 STAT1 (0.67) STAT1MAPK1HTTRAF1PDE5A
SCHEMBL7473060 0.82 STAT1 (0.64) STAT1MAPK1HTTRAF1PDE5A
Hydrochloric Acid SCHEMBL7502866 0.81 STAT1 (0.66) STAT1MAPK1HTTRAF1PDE5A
SCHEMBL13191864 0.81 EGFR (0.61) MAPK1HTTPDE5AMEN1KMT2A
SCHEMBL7497208 0.80 STAT1 (0.61) STAT1MAPK1HTTRAF1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed