SCHEMBL7092813

SCHEMBL7092813

COc1ccc2c(c1)SC(=O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAOB P27338 2/20 0.49
HTT P42858 1/20 0.49
MAOA P21397 1/20 0.49
METAP1 P53582 2/20 0.47
LMNA P02545 1/20 0.46
SNCA P37840 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.42
RYR2 Q92736 5/20 0.42
CYP19A1 P11511 2/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4480344 0.77 KMT2A (0.53) KDM4EHTTLMNASNCAALDH1A1
SCHEMBL8377609 0.77 ALDH1A1 (0.62) KDM4EMAOBHTTMETAP1LMNA
SCHEMBL16250772 0.76 ALDH1A1 (0.50) KDM4EMAOBHTTMAOAMETAP1
SCHEMBL11760978 0.74 HPGD (0.63) KDM4EMAOBHTTMETAP1LMNA
SCHEMBL11762631 0.74 ALDH1A1 (0.43) KDM4EMAOBHTTMETAP1LMNA
SCHEMBL9640822 0.72 HPGD (0.46) METAP1LMNAGAAHPGDL3MBTL1
SCHEMBL11480319 0.72 HPGD (0.41) KDM4EHTTMETAP1LMNASNCA
SCHEMBL11758947 0.72 ALDH1A1 (0.41) KDM4EMAOBHTTMAOAMETAP1
SCHEMBL20734693 0.71 BLM (0.32) KDM4EALDH1A1HPGD
SCHEMBL11346578 0.70 MAPK14 (0.43) KDM4EHTTMETAP1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979076-A4 INTERMEDIATES AND PROCESSES FOR PREPARING BENZO b]THIOPHENES LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0761669-B1 Pentacyclic compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2000-11-22 EP disclosed
US-6133288-A 2,8-DI(HYDROXY)-5-((2-PIPERIDIN-1-YL)ETHYOXY-1,4-PHENYLENE)-)-5H -BENZO-(E)NAPHTHO(1,2-C)PYRAN; POST-MENOPAUSAL SYNDROME, OSTEOPOROSIS, CARDIOVASCULAR DISORDERS; UTERINE FIBROSIS, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
EP-0979076-A1 INTERMEDIATES AND PROCESSES FOR PREPARING BENZO b]THIOPHENES ELI LILLY AND COMPANY (US) 2000-02-16 EP disclosed
US-6018056-A Intermediates and processes for preparing benzo (b) thiophenes ELI LILLY AND COMPANY (US) 2000-01-25 US disclosed
US-6004971-A ADMINISTERING TO POST-MENOPAUSAL WOMEN TO TREAT OSTEOPOROSIS AND LOWER CHOLESTEROL ELI LILLY AND COMPANY (US) 1999-12-21 US disclosed
WO-1998048793-A1 INTERMEDIATES AND PROCESSES FOR PREPARING BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
US-5726186-A FOR TREATING POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1998-03-10 US disclosed
WO-1997009044-A1 PENTACYCLIC COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed
EP-0761669-A2 Pentacyclic compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed