SCHEMBL420

SCHEMBL420

COC(=O)c1ccccc1C(=O)c1ccc(CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
SLC6A3 Q01959 1/20 0.46
LMNA P02545 5/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.45
CFTR P13569 1/20 0.45
HTT P42858 2/20 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
SCHEMBL10534291 0.88 SLC6A3 (0.42) CES2CES1KDM4EPOLBATM
SCHEMBL9541280 0.87 CES2 (0.62) CES2CES1ATMALDH1A1L3MBTL1
SCHEMBL7017547 0.85 TSHR (0.62) CES2CES1KDM4EALDH1A1KMT2A
SCHEMBL10429982 0.84 ALDH1A1 (0.45) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL2770427 0.84 KDM4E (0.47) CES2CES1KDM4EALDH1A1KMT2A
SCHEMBL28560378 0.82 AKR1C3 (0.64) KDM4EPOLBATMALDH1A1KMT2A
SCHEMBL1774489 0.82 LOXL2 (0.59) CES2CES1KDM4EALDH1A1KMT2A
SCHEMBL28000 0.81 TSHR (0.63) KDM4EPOLBATMALDH1A1KMT2A
SCHEMBL29363206 0.81 TSHR (0.63) KDM4EPOLBATMALDH1A1KMT2A
SCHEMBL27840685 0.81 TSHR (0.63) KDM4EPOLBATMALDH1A1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed