SCHEMBL658

SCHEMBL658

CCCSc1ncc(C(=O)OCC)n1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.53
NMT2 O60551 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KLK1 P06870 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL670 0.81 POLB (0.60) MEN1KMT2AALDH1A1
SCHEMBL701 0.73 POLB (0.49)
SCHEMBL5372048 0.71 MEN1 (0.51) NMT1NMT2MEN1KMT2AL3MBTL1
SCHEMBL7910944 0.70 MAPT (0.80) MEN1KMT2AL3MBTL1PTGDR2HSP90AA1
SCHEMBL340618 0.70 MAOB (0.67) KMT2AL3MBTL1LMNANR1H4ALDH1A1
SCHEMBL13325275 0.70 CACNA1G (0.48) MEN1KMT2ALMNAHPGDPTGDR2
SCHEMBL23174424 0.70 TSHR (0.62) MEN1KMT2AL3MBTL1LMNAHPGD
SCHEMBL5377556 0.69 KMT2A (0.52) MEN1KMT2AL3MBTL1LMNAHPGD
SCHEMBL6172705 0.69 MEN1 (0.52) NMT1NMT2MEN1KMT2ALMNA
SCHEMBL9473192 0.69 CCR2 (0.45) ALDH1A1

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 11 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-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