SCHEMBL8132452

SCHEMBL8132452

COc1ccc(-c2c(C(=O)O)c(C=CCCc3nccn3C)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RET P07949 1/20 0.34
▸ SLC10A2 Q12908 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ NOX1 Q9Y5S8 1/20 0.33
▸ SYK P43405 1/20 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
SCHEMBL8132448 1.00 EGFR (0.39) EGFRKMT2AMEN1KDM4EHSD17B10
SCHEMBL8133293 1.00 EGFR (0.39) EGFRKMT2AMEN1KDM4EHSD17B10
SCHEMBL8131979 0.85 ALDH1A1 (0.37) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL7832556 0.85 SLC10A2 (0.39) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8131985 0.85 ALDH1A1 (0.37) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8138452 0.85 ALDH1A1 (0.37) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
SCHEMBL7829714 0.77 SLC10A2 (0.52) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7834035 0.77 ALDH1A1 (0.44) KMT2AMEN1KDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL8132935 0.76 SLC10A2 (0.51) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8121479 0.76 SLC10A2 (0.51) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT

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
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
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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