SCHEMBL7330871

SCHEMBL7330871

CN(C)C=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
STING1 Q86WV6 1/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 3/20 0.41
BCHE P06276 1/20 0.41
P2RX4 Q99571 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL7330866 1.00 ALDH1A1 (0.46) ALDH1A1USP2LMNATP53TSHR
SCHEMBL5238511 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1STING1
SCHEMBL5238517 0.85 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1STING1
SCHEMBL5232572 0.84 MAPT (0.39) ALDH1A1LMNASTING1HPGDL3MBTL1
SCHEMBL5232579 0.84 MAPT (0.39) ALDH1A1LMNASTING1HPGDL3MBTL1
SCHEMBL5234520 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1STING1
SCHEMBL5235254 0.82 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1STING1
SCHEMBL7313747 0.81 STING1 (0.38) ALDH1A1LMNAKMT2AMEN1STING1
SCHEMBL5231836 0.81 STING1 (0.38) ALDH1A1LMNAKMT2AMEN1STING1
SCHEMBL7352575 0.80 ALDH1A1 (0.56) ALDH1A1USP2LMNATP53TSHR

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 17 patents. 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-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-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 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-5736538-A TREATS IN MAMMAL THE DISEASE CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER, IS CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, HYPONATREMIA, CORONARY AND RENAL VASOSPASM, CARDIAC ISCHEMIA, LIVER CIRRHOSIS AND BRAIN EDEMA AMERICAN CYANAMID COMPANY (US) 1998-04-07 US disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 WO 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
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed