SCHEMBL8417850

SCHEMBL8417850

Cc1nc2cccc(C(=O)OCc3ccc(-c4ccccc4C#N)c(Cl)c3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
EIF4E P06730 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8419218 0.90 MEN1 (0.38) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL8417863 0.86 ALDH1A1 (0.39) KMT2AMAPTALDH1A1TSHRNPSR1
SCHEMBL8357062 0.85 ALDH1A1 (0.36) KMT2AMAPTALDH1A1TSHRNPSR1
SCHEMBL8417450 0.85 MAPT (0.36) KMT2AMAPTALDH1A1TSHRNPSR1
SCHEMBL8421782 0.85 ALDH1A1 (0.38) MAPTALDH1A1TSHRNPSR1KDM4E
SCHEMBL8417430 0.84 MAPT (0.37) MAPTALDH1A1TSHRNPSR1KDM4E
SCHEMBL8417854 0.83 ALDH1A1 (0.43) KMT2AMAPTALDH1A1TSHRNPSR1
SCHEMBL3976312 0.75 ALDH1A1 (0.42) MAPTALDH1A1TSHRKDM4EDHODH
SCHEMBL3978309 0.75 FFAR1 (0.43) MAPTALDH1A1TSHRNPSR1KDM4E
SCHEMBL8419470 0.74 MAPT (0.42) MAPTALDH1A1NPSR1KDM4ESMN1; SMN2

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