SCHEMBL8417658

SCHEMBL8417658

CCOc1cc(-n2c(C)nc3cccc(C(=O)OCOC(=O)C4CCCC4)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 3/20 0.33
AGTR2 P50052 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 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
CYP3A4 P08684 1/20 0.33
HTR1A P08908 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
SCHEMBL8419162 0.99 KDM4E (0.34) TDP1ALDH1A1ALOX15KDM4EMAPK1
SCHEMBL8419277 0.90 ALOX15 (0.36) ALOX15AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL8417855 0.90 ALOX15 (0.36) ALDH1A1ALOX15KDM4EAGTR2TP53
SCHEMBL8417957 0.90 ALOX15 (0.41) ALDH1A1ALOX15KDM4EAGTR2TP53
SCHEMBL8633519 0.89 ALOX15 (0.42) ALOX15AGTR2TP53MEN1KMT2A
SCHEMBL8419294 0.89 ALOX15 (0.35) ALDH1A1ALOX15KDM4EMAPK1AGTR2
SCHEMBL8419566 0.89 ALOX15 (0.37) ALDH1A1ALOX15KDM4EAGTR2TP53
SCHEMBL8502175 0.88 ALOX15 (0.34) ALDH1A1ALOX15KDM4EAGTR2TP53
SCHEMBL8417426 0.86 TSHR (0.37) ALOX15AGTR2MEN1KMT2ACYP3A4
SCHEMBL8421156 0.85 ALOX15 (0.34) ALOX15AGTR2CYP3A4ADORA3ADRA2B

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