SCHEMBL476351

SCHEMBL476351

O=C(O)c1sc(Br)c(Br)c1O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.67
PTPN1 P18031 2/20 0.48
TSHR P16473 1/20 0.35
TTR P02766 1/20 0.33
GSK3B P49841 1/20 0.33
DAO P14920 1/20 0.32
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL4582179 0.80 GPR35 (0.54) GPR35PTPN1TSHRGSK3BDAO
SCHEMBL1760864 0.79 GPR35 (0.55) GPR35PTPN1TSHRDAO
Hydrochloric Acid SCHEMBL8935194 0.78 GPR35 (0.52) GPR35PTPN1TSHRGSK3BDAO
SCHEMBL5726902 0.74 GPR35 (0.50) GPR35PTPN1TSHRGSK3BDAO
SCHEMBL21612058 0.74 GPR35 (0.48) GPR35PTPN1TSHRGSK3BDAO
SCHEMBL4753776 0.74 GPR35 (0.68) GPR35PTPN1TSHR
SCHEMBL16065014 0.74 GPR35 (0.48) GPR35PTPN1TSHRGSK3BDAO
SCHEMBL1529858 0.74 MAPT (0.50) GPR35PTPN1TSHR
SCHEMBL731095 0.73 GPR35 (0.50) GPR35TSHR
SCHEMBL9117738 0.71 GPR35 (0.48) GPR35PTPN1TSHRGSK3B

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-3026054-A1 HETERO-CONDENSED RING COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-06-01 EP disclosed
EP-2411383-B1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2411383-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109150-A1 DERIVATIVES OF 3-ALKOXY-4,5-DIARYLTHIOPHENE-2-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed