SCHEMBL8131460

SCHEMBL8131460

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 9/20 0.42
▸ PDE4D Q08499 9/20 0.42
▸ PDE3B Q13370 6/20 0.42
▸ PDE3A Q14432 6/20 0.42
▸ WHR1 P49842 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE5A O76074 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ACACA Q13085 1/20 0.38

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
SCHEMBL7820197 0.84 PDE4A (0.48) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL7819852 0.79 WHR1 (0.48) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL7825968 0.77 WHR1 (0.46) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL7818387 0.76 MAPT (0.46) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL8884921 0.75 KDM4E (0.48) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL8130450 0.74 ALDH1A1 (0.46) PDE4APDE4DWHR1ALDH1A1TSHR
SCHEMBL8886069 0.74 WHR1 (0.43) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL8138601 0.73 WHR1 (0.42) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL8735327 0.72 WHR1 (0.41) PDE4APDE4DPDE3BPDE3AWHR1
SCHEMBL8885954 0.72 WHR1 (0.50) WHR1L3MBTL1PDGFRBPDGFRAMAPT

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 17 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 claimed
EP-0850061-A1 IMMUNOSUPPRESSANT Takeda Chemical Industries, Ltd. (JP) 1998-07-01 — — EP claimed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 — — EP claimed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US claimed
WO-1997009984-A1 IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 — — WO claimed
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 — — WO claimed
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 — — EP claimed
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
EP-0850061-A1 IMMUNOSUPPRESSANT Takeda Chemical Industries, Ltd. (JP) 1998-07-01 — — EP disclosed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 — — EP disclosed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
WO-1997009984-A1 IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 — — WO disclosed
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 — — WO 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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