SCHEMBL8419218

SCHEMBL8419218

CCc1nc2cccc(C(=O)OCc3ccc(-c4ccccc4C#N)c(Cl)c3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORC P51449 1/20 0.33
EIF4E P06730 1/20 0.33
REN P00797 1/20 0.33
BRS3 P32247 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
SCHEMBL8417850 0.90 KMT2A (0.39) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL8417863 0.78 ALDH1A1 (0.39) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL8417450 0.77 MAPT (0.36) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL8357062 0.77 ALDH1A1 (0.36) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL8421782 0.77 ALDH1A1 (0.38) ALDH1A1TSHRMAPTMAPK1L3MBTL1
SCHEMBL8417854 0.76 ALDH1A1 (0.43) KMT2AALDH1A1TSHRMAPTMAPK1
SCHEMBL8417430 0.74 MAPT (0.37) ALDH1A1TSHRMAPTL3MBTL1NPSR1
SCHEMBL8357464 0.74 FFAR1 (0.43) ALDH1A1TSHRMAPTMAPK1L3MBTL1
SCHEMBL3976312 0.74 ALDH1A1 (0.42) ALDH1A1TSHRMAPTKDM4EBRS3
SCHEMBL3978309 0.73 FFAR1 (0.43) ALDH1A1TSHRMAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 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