SCHEMBL8417657

SCHEMBL8417657

CCOc1nc2c(COC(=O)C3CCCC3)ccc(C(=O)OC)c2n1-c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
AGTR2 P50052 2/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL8419155 0.99 KDM4E (0.34) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8419272 0.89 AGTR2 (0.33) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8417847 0.89 AGTR2 (0.32) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8419288 0.89 AGTR1 (0.32) KDM4EKMT2AMEN1HPGDHSD17B10
SCHEMBL8633512 0.88 AGTR1 (0.36) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8417952 0.88 AGTR1 (0.34) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8635506 0.87 AGTR2 (0.32) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8419565 0.87 AGTR2 (0.32) ALDH1A1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL8421150 0.84 AGTR2 (0.32) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL8417421 0.84 AGTR1 (0.34) AGTR2CYP3A4ADORA3ADRA2BSLC6A2

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
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US claimed
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5763619-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS OR STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-09 US disclosed
US-5705517-A ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-06 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed