SCHEMBL7329845

SCHEMBL7329845

O=C(Cl)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.67
JAK2 O60674 3/20 0.66
JAK1 P23458 3/20 0.66
TYK2 P29597 2/20 0.66
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
PKM P14618 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
P2RX1 P51575 2/20 0.58
NPC1 O15118 2/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
PPARG P37231 1/20 0.52
TMPRSS4 Q9NRS4 1/20 0.51

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
SCHEMBL29929613 0.90 JAK2 (0.78) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL7330825 0.88 JAK2 (0.66) HDAC8JAK2JAK1TYK2MEN1
SCHEMBL20601659 0.88 HDAC8 (0.67) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL5336489 0.86 SMN1; SMN2 (0.65) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL3729379 0.85 HDAC8 (0.56) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL6005591 0.84 JAK2 (0.69) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL5341743 0.84 HDAC8 (0.62) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL2009824 0.84 SMN1; SMN2 (0.70) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL11575341 0.83 ALDH1A1 (0.69) HDAC8JAK2JAK1TYK2ALDH1A1
SCHEMBL10612716 0.82 TMPRSS4 (0.73) HDAC8JAK2JAK1TYK2ALDH1A1

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
CN-1064354-C Antimicrobial 5- (N-heterosubstituted amino) quinolones and pharmaceutical compositions AMERICAN CYANAMID CO (US) 2001-04-11 CN 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-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