SCHEMBL6990840

SCHEMBL6990840

O=C(O)c1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.81
KDM4E B2RXH2 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
HTT P42858 1/20 0.73
MAPK1 P28482 3/20 0.69
JAK2 O60674 1/20 0.68
TYK2 P29597 1/20 0.68
MITF O75030 1/20 0.66
POLB P06746 3/20 0.65
STAT3 P40763 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KMT2A Q03164 2/20 0.64
FFAR1 O14842 1/20 0.64
NT5E P21589 1/20 0.64
NAPRT Q6XQN6 1/20 0.63
MAPT P10636 1/20 0.61
MEN1 O00255 1/20 0.61
KCNK3 O14649 1/20 0.60
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL27193275 0.94 KDM4E (0.85) GAAKDM4EL3MBTL1HTTMAPK1
SCHEMBL27193253 0.91 POLB (0.74) GAAKDM4EL3MBTL1HTTMAPK1
SCHEMBL19242053 0.90 GAA (1.00) GAAKDM4EL3MBTL1HTTMAPK1
SCHEMBL8827340 0.88 MITF (0.81) GAAKDM4EL3MBTL1MITFPOLB
SCHEMBL28419632 0.88 MITF (0.81) GAAKDM4EL3MBTL1MITFPOLB
SCHEMBL900903 0.88 MITF (0.81) GAAKDM4EL3MBTL1MITFPOLB
SCHEMBL8770686 0.87 GAA (0.85) GAAKDM4EL3MBTL1HTTMAPK1
SCHEMBL14716526 0.86 KDM4E (1.00) GAAKDM4EL3MBTL1HTTMAPK1
SCHEMBL1898755 0.86 GAA (0.91) GAAKDM4EL3MBTL1HTTMAPK1
SCHEMBL19241697 0.85 GAA (0.88) GAAKDM4EL3MBTL1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed
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-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-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
CN-1177356-A Bicyclic benzazepine derivatives as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-03-25 CN disclosed
EP-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed
US-5696112-A TREATMENT OF CONGESTIVE HEART FAILURE, CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-09 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
US-5654297-A CONGESTIVE HEART FAILURE, CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
WO-1996022294-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS 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
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed