SCHEMBL8131735

SCHEMBL8131735

CCc1c(OC)c(OC)cc2nc(CCc3nccn3C)nc(-c3ccc(OC)c(OC)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 7/20 0.41
▸ MAPK1 P28482 2/20 0.35
▸ SYK P43405 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL8492206 0.83 TLR9 (0.39) MAPK1SYKTLR9TLR7L3MBTL1
SCHEMBL9563393 0.79 SLC10A2 (0.49) SLC10A2MAPK1TLR9TLR7L3MBTL1
SCHEMBL8137994 0.64 SLC10A2 (0.41) SLC10A2MAPK1TLR9TLR7ALDH1A1
SCHEMBL7832556 0.64 SLC10A2 (0.39) SLC10A2TLR9TLR7L3MBTL1ALDH1A1
SCHEMBL7829714 0.64 SLC10A2 (0.52) SLC10A2ALDH1A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL8132935 0.63 SLC10A2 (0.51) SLC10A2ALDH1A1MAPTKDM4EMEN1
SCHEMBL9181338 0.63 SLC10A2 (0.47) SLC10A2MAPK1ALDH1A1MAPTKDM4E
SCHEMBL7819346 0.63 QPCT (0.47) TLR9TLR7ALDH1A1MAPTKDM4E
SCHEMBL28050431 0.61 LRRK2 (0.51) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL7825968 0.61 WHR1 (0.46) L3MBTL1ALDH1A1MAPTKDM4EHPGD

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
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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