SCHEMBL5740202

SCHEMBL5740202

O=Cc1cccn1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ CTSD P07339 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.40

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
SCHEMBL28645799 0.79 MET (0.47) METALDH1A1HTTHPGDCTSD
SCHEMBL28954485 0.75 BCHE (0.48) ALDH1A1HPGDCA12CA1CA2
SCHEMBL29191050 0.75 MET (0.49) METALDH1A1HTTHPGDCTSD
SCHEMBL1321811 0.73 KMT2A (0.74) ALDH1A1HTTKMT2AMAPT
SCHEMBL10613860 0.72 ALDH1A1 (0.68) ALDH1A1HTTKMT2ACTSDKDM4E
SCHEMBL11722513 0.70 CA12 (0.70) ALDH1A1HTTKMT2AHPGDCTSD
SCHEMBL1697511 0.70 ALDH1A1 (0.59) ALDH1A1HTTKMT2ACTSDKDM4E
SCHEMBL9764926 0.69 ALDH1A1 (0.63) ALDH1A1HTTKMT2ACTSDKDM4E
SCHEMBL975117 0.69 ALDH1A1 (0.68) ALDH1A1HTTKMT2ACTSDKDM4E
Water SCHEMBL28574745 0.68 ALDH1A1 (0.58) ALDH1A1HTTKMT2AHPGDCTSD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804438-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2006-03-15 — — EP disclosed
EP-0805813-B1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID CO (US) 2002-05-15 — — EP disclosed
CN-1065244-C Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID CO (US) 2001-05-02 — — CN disclosed
CN-1052725-C Tricyclic vasopressin antagonists AMERICAN CYANAMID CO (US) 2000-05-24 — — CN disclosed
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 — — US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 — — US disclosed
EP-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 — — EP disclosed
US-5889001-A TREATING CONDITIONS WHERE DECREASED VASOPRESSIN LEVELS ARE DESIRED AND DISEASES WITH EXCESS RENAL WATER REABSORPTION AMERICAN CYANAMID COMPANY (US) 1999-03-30 — — US disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 — — EP disclosed
CN-1205335-A Tricyclic diazepine vasopression antagonists AMERICAN CYANAMID CO (US) 1999-01-20 — — CN disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 — — US disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 — — US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 — — US disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
WO-1996022292-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 — — US disclosed
US-5521173-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 — — US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 — — US disclosed
CN-1106812-A Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1995-08-16 — — CN disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 — — EP disclosed
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