SCHEMBL7338841

SCHEMBL7338841

O=C(O)C=CC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ CTSD P07339 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ AR P10275 1/20 0.49
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALPL P05186 1/20 0.44

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
SCHEMBL7338837 1.00 MAPT (0.58) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL10497823 0.83 MAPT (0.61) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL12112443 0.83 ALDH1A1 (0.54) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL1697511 0.80 ALDH1A1 (0.59) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL29275361 0.80 ALDH1A1 (0.55) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL15692669 0.79 ALDH1A1 (0.50) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL4464211 0.79 ALDH1A1 (0.55) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL29744419 0.79 ALDH1A1 (0.55) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL15671629 0.79 ALDH1A1 (0.50) MAPTALDH1A1LMNAHSP90AA1ATM
SCHEMBL4464214 0.79 ALDH1A1 (0.55) MAPTALDH1A1LMNAHSP90AA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869483-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1999-02-09 — — US disclosed
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 — — EP disclosed
US-5854236-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-29 — — US disclosed
US-5849735-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-15 — — US disclosed
US-5843952-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-12-01 — — US disclosed
US-5834461-A TREATING CONGESTIVE HEART FAILURE AMERICAN CYANAMID COMPANY (US) 1998-11-10 — — US disclosed
US-5786353-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1998-07-28 — — US disclosed
US-5760031-A KIDNEY DISEASES AMERICAN CYANAMID COMPANY (US) 1998-06-02 — — US disclosed
US-5747487-A N-(4-((4,5-DIHYDRO-6H-THIAZOL(5,4-D)(1)BENZAZEPIN-6-YL) -CARBONYL)PHENYL)BENZAMIDES; DISEASES CHARATERIZED BY EXCESS RENAL ABSORPTION OF WATER, E.G. CONGESTIVE HEART DISEASE, HYERTENSION; OXYTOCIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1998-05-05 — — US disclosed
US-5739128-A ADMINISTERING FOR TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-04-14 — — US disclosed
US-5693635-A TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL ABSORPTION OF WATER; CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME AMERICAN CYANAMID COMPANY (US) 1997-12-02 — — US disclosed
US-5686445-A Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-11-11 — — US disclosed
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 — — EP disclosed
EP-0781284-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-07-02 — — EP disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 — — US disclosed
WO-1996008494-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 — — WO disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 — — EP disclosed
US-4483868-A ANTIULCER AGENTS ANTISECRETORY AGENTS ROUSSEL UCLAF (FR) 1984-11-20 — — US disclosed
US-4402978-A Gastro-protecting activity of substituted derivatives of 4-phenyl-4-oxo-2-hydroxy-butanoic acid ROUSSEL-UCLAF (FR) 1983-09-06 — — US disclosed
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