SCHEMBL8417430

SCHEMBL8417430

C=CCOc1cc(COC(=O)c2cccc3nc(C)[nH]c23)ccc1-c1ccccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8421782 0.88 ALDH1A1 (0.38) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL8417850 0.84 KMT2A (0.39) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL8417863 0.81 ALDH1A1 (0.39) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL8417450 0.81 MAPT (0.36) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL8357062 0.81 ALDH1A1 (0.36) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL8417854 0.79 ALDH1A1 (0.43) MAPTALDH1A1TSHRKDM4ELMNA
SCHEMBL8419470 0.78 MAPT (0.42) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL8363466 0.78 MAPT (0.39) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL8868610 0.75 PARP1 (0.36) ALDH1A1TSHRKDM4ELMNAHPGD
SCHEMBL8419218 0.74 MEN1 (0.38) MAPTALDH1A1TSHRKDM4ETDP1

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