SCHEMBL8131979

SCHEMBL8131979

COc1ccc(-c2c(C(=O)O)c(/C=C/c3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDGFRB P09619 2/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC10A2 Q12908 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GUSB P08236 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AAK1 Q2M2I8 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
SCHEMBL8131985 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL8138452 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL8132452 0.85 EGFR (0.39) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL8132448 0.85 EGFR (0.39) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL8133293 0.85 EGFR (0.39) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL7834035 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL7834045 0.78 KMT2A (0.40) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL7832556 0.78 SLC10A2 (0.39) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL7835666 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1HSD17B10
SCHEMBL7835953 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1HSD17B10

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 6 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-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 — — US 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
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 — — EP disclosed
EP-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
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