SCHEMBL8417854

SCHEMBL8417854

CCCCNc1cc(COC(=O)c2cccc3nc(C)[nH]c23)ccc1-c1ccccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
KDM4E B2RXH2 9/20 0.43
TDP1 Q9NUW8 6/20 0.43
HPGD P15428 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.37
HSD17B10 Q99714 1/20 0.37
RIPK1 Q13546 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 2/20 0.33
CFTR P13569 1/20 0.33
GAA P10253 2/20 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
SCHEMBL8417863 0.92 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8357062 0.86 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8421782 0.86 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8421724 0.85 KDM4E (0.34) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8417850 0.83 KMT2A (0.39) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8417450 0.82 MAPT (0.36) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8417430 0.79 MAPT (0.37) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL8419218 0.76 MEN1 (0.38) ALDH1A1KDM4ETDP1L3MBTL1NPSR1
SCHEMBL7376271 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1HPGDL3MBTL1
SCHEMBL7010550 0.74 MAPT (0.36) ALDH1A1KDM4ETDP1L3MBTL1LMNA

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