SCHEMBL8124623

SCHEMBL8124623

CCOC(=O)c1c(CN2CCSCC2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL8136794 0.92 SLC10A2 (0.51) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL8138699 0.91 SLC10A2 (0.51) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL8129893 0.89 SLC10A2 (0.49) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL8135992 0.89 SLC10A2 (0.49) SLC10A2ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL8131178 0.88 SLC10A2 (0.48) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL8131926 0.87 SLC10A2 (0.47) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL8133939 0.86 ALDH1A1 (0.54) SLC10A2ALDH1A1SMN1; SMN2GAANPSR1
Hydrochloric Acid SCHEMBL8139516 0.85 SLC10A2 (0.47) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL7818607 0.84 SLC10A2 (0.53) SLC10A2ALDH1A1SMN1; SMN2GAATUBB4A
SCHEMBL8884174 0.84 SLC10A2 (0.47) SLC10A2ALDH1A1SMN1; SMN2GAANPSR1

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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