SCHEMBL8136943

SCHEMBL8136943

COc1ccc(-c2nc(CN3CCCCC3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ WHR1 P49842 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE4A P27815 1/20 0.41

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
SCHEMBL7819852 0.79 WHR1 (0.48) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7820197 0.77 PDE4A (0.48) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL7825968 0.77 WHR1 (0.46) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8884921 0.75 KDM4E (0.48) KDM4EL3MBTL1ALDH1A1HPGDHIF1A
SCHEMBL7818387 0.74 MAPT (0.46) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8886069 0.74 WHR1 (0.43) KDM4EL3MBTL1ALDH1A1HPGDHIF1A
SCHEMBL8138601 0.73 WHR1 (0.42) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8885954 0.72 WHR1 (0.50) L3MBTL1SMN1; SMN2TP53MAPTWHR1
SCHEMBL8131460 0.72 PDE4A (0.42) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL8885068 0.72 WHR1 (0.50) KDM4EL3MBTL1ALDH1A1SMN1; SMN2HPGD

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
EP-0634169-B1 Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-01-05 — — EP disclosed
US-5852039-A Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-22 — — US disclosed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
US-5650410-A ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 — — US disclosed
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 — — EP disclosed
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