SCHEMBL8927334

SCHEMBL8927334

COc1ccc2c(c1)SC(=Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.47
AHR P35869 1/20 0.47
PIM1 P11309 3/20 0.46
PIM2 Q9P1W9 3/20 0.46
AKR1B1 P15121 2/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.45
MAOB P27338 1/20 0.44
PPARG P37231 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
SCHEMBL14099575 0.85 MAPT (0.49) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL11371014 0.74 MAPT (0.61) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL10497609 0.74 MAPT (0.55) ALOX5MEN1MAPTKMT2AKDM4E
SCHEMBL14524716 0.72 MAOB (0.76) MAOB
SCHEMBL5581839 0.72 MAOB (0.76) MAOB
SCHEMBL5581835 0.72 MAOB (0.76) MAOB
SCHEMBL260978 0.72 KDM4E (0.50) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL1429142 0.72 ALDH1A1 (0.55) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4324078 0.72 ALDH1A1 (0.55) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL9150115 0.71 MAOB (0.85) NPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643896-A TREATMENT OF MENOPAUSE SYMPTOMS, OSTEOPOROSIS, CARDIOVASCULAR DISORDERS OR ESTROGEN DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
WO-1996026935-A1 2-BENZYL-3-ARYLBENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1996-09-06 WO disclosed
EP-0729955-A1 2-Benzyl-3-Arylbenzothiophenes useful for the treatment of post-menopausal syndrome ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
US-5552401-A CARDIOVASCULAR DISORDERS, OSTEOPOROSIS AND ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed