SCHEMBL6581247

SCHEMBL6581247

COc1ccc([N+](=O)[O-])c(OC)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
KMT2A Q03164 3/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42

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
SCHEMBL4351741 0.87 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6576199 0.86 MAPT (0.44) ALDH1A1TDP1KMT2ALMNAMAPT
SCHEMBL6641000 0.84 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6520014 0.84 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6643273 0.84 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6578580 0.83 TDP1 (0.47) ALDH1A1TDP1KMT2ALMNAMAPT
SCHEMBL6519971 0.83 ALDH1A1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6576208 0.83 TDP1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL1448670 0.81 LMNA (0.45) ALDH1A1TDP1KMT2ALMNAMAPT
SCHEMBL34472127 0.79 ALDH1A1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
EP-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1075808-C Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-12-05 CN disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
CN-1194978-A Benzyloxy-substituted, fused N heterocycles, process for their preparation and their use as bradykinin receptor antagonists HOECHST AG (DE) 1998-10-07 CN disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed