SCHEMBL9042004

SCHEMBL9042004

COC(=O)Cc1ccccc1Oc1ccc(CBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
FFAR1 O14842 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC1A5 Q15758 1/20 0.41
ATM Q13315 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
HTR2A P28223 1/20 0.40
CXCL8 P10145 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PPARD Q03181 1/20 0.39
GAA P10253 1/20 0.39
CYP4F2 P78329 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
SCHEMBL9429751 0.86 TBXAS1 (0.44) ALDH1A1FFAR1L3MBTL1TDP1SLC6A4
SCHEMBL7254516 0.85 SLC6A4 (0.56) ALDH1A1L3MBTL1TDP1SLC6A4SLC6A2
SCHEMBL837233 0.85 RIPK1 (0.51) ALDH1A1FFAR1L3MBTL1TDP1SLC6A4
SCHEMBL6935863 0.84 SLC6A4 (0.55) ALDH1A1L3MBTL1TDP1SLC6A4SLC6A2
SCHEMBL2248000 0.83 HTR2A (0.60) ALDH1A1L3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL10093148 0.83 SLC6A4 (0.43) ALDH1A1FFAR1L3MBTL1TDP1SLC6A4
SCHEMBL9125695 0.82 HTR2A (0.49) ALDH1A1FFAR1L3MBTL1SLC6A4HTR2A
SCHEMBL9150938 0.79 KDM4E (0.48) ALDH1A1SLC6A4SLC6A2SLC1A5MEN1
SCHEMBL9127769 0.79 CFTR (0.46) ALDH1A1L3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL8944629 0.78 TSPO (0.44) ALDH1A1L3MBTL1TDP1SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed
US-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 US disclosed
US-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US disclosed
US-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 US disclosed
EP-0539066-A1 Heterocyclic compounds useful as angiotensin II antagonists ZENECA LIMITED (GB) 1993-04-28 EP disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed