SCHEMBL7819346

SCHEMBL7819346

COc1ccc(-c2nc(CCn3ccnc3)nc3cc(OC)c(OC)cc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 12/20 0.47
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE4D Q08499 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 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
SCHEMBL8492206 0.79 TLR9 (0.39) MTORHIF1AKDM4EALDH1A1HPGD
SCHEMBL7825968 0.78 WHR1 (0.46) MTORRAB9AHIF1AKDM4EALDH1A1
SCHEMBL7820197 0.78 PDE4A (0.48) MTORKDM4EALDH1A1HPGDPDE4D
SCHEMBL8138601 0.77 WHR1 (0.42) HIF1AKDM4EALDH1A1GAAHPGD
SCHEMBL7819852 0.75 WHR1 (0.48) MTORRAB9AHIF1AKDM4EALDH1A1
SCHEMBL3524604 0.74 ALDH1A1 (0.46) QPCTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8637407 0.73 PDE4A (0.41) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7820762 0.73 SLC10A2 (0.52) QPCTTP53ALDH1A1GAASMN1; SMN2
SCHEMBL8884921 0.71 KDM4E (0.48) HIF1AKDM4EALDH1A1GAAHPGD
SCHEMBL7809984 0.71 QPCT (0.44) QPCTTP53KDM4EALDH1A1GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608870-B1 Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-09-05 — — EP disclosed
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-5932592-A ETHYL 4-(3,4-DIMETHOXYPHENYL)-6,7-DIMETHOXY-2-(1,2,4-TRIAZOLE-1-YLME THYL)QUINOLINE-3-CARBOXYLATE; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENT TAKEDA CHEMICAL IND., LTD. (JP) 1999-08-03 — — US disclosed
US-5852039-A Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-22 — — US disclosed
US-5770602-A REACTING QUIONOZOLINE OR QUINOLINE DERIVATIVES CONTAINING LEAVING GROUPS WITH NITROGEN CONTAINING UNSATURATED CYCLIC GROUP WHICH MAY BE SUBSTITUTED OR UNSUBSTITUTED; ANTIARTHRITIC AGENT TAKEDA CHEMICAL INDUSTRIES (JP) 1998-06-23 — — US disclosed
US-5719157-A OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 — — US disclosed
US-5436247-A Antiinflammatory agents or antiarthritic agents TAKEDA CHEMICAL INDUSTRIES (JP) 1995-07-25 — — US disclosed
EP-0634169-A1 Pharmaceutical composition containing quinoline or quinazoline derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-18 — — EP disclosed
EP-0608870-A1 Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-03 — — EP disclosed
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