SCHEMBL7010741

SCHEMBL7010741

COCOc1nnc(C(F)(F)F)n1-c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.39
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKT1 P31749 2/20 0.34
SYK P43405 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ENPP1 P22413 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL7017835 0.88 KCNN4 (0.35) KCNN4ALDH1A1HPGDNPSR1HSD17B10
SCHEMBL9486182 0.78 EGFR (0.32) KCNN4ALDH1A1HPGDNPSR1HSD17B10
SCHEMBL7015535 0.66 ALDH1A1 (0.45) ALDH1A1NPSR1MAPT
SCHEMBL24174132 0.60 MAPT (0.45) ALDH1A1HPGDHSD17B10AKT1MAPT
SCHEMBL7017759 0.60 CYP1A2 (0.43) ALDH1A1HPGDCYP1A2
SCHEMBL1047574 0.59 HSD11B1 (0.52) ALDH1A1ENPP1HSD11B1CYP1A2
SCHEMBL2131789 0.58 ACHE (0.52) ALDH1A1HPGDMAPT
SCHEMBL28922699 0.58 HSD11B1 (0.50) ENPP1HSD11B1
SCHEMBL8036362 0.57 LMNA (0.50) ALDH1A1HPGDSYKMAPT
SCHEMBL1045874 0.57 FFAR4 (0.51) KCNN4ALDH1A1SYKHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520423-B1 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-14 EP disclosed
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed