SCHEMBL5207266

SCHEMBL5207266

CCc1csc(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
GPR35 Q9HC97 11/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DAO P14920 3/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL2289431 0.81 ALDH1A1 (0.44) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL23142188 0.78 TSHR (0.42) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL2470504 0.78 ALDH1A1 (0.44) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL4078686 0.78 GPR35 (0.42) GSK3BGPR35POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL7028655 0.76 ALDH1A1 (0.42) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL3836429 0.76 POLB (0.55) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL6848138 0.75 GPR35 (0.38) GSK3BGPR35POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL7810688 0.74 POLB (0.53) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL2808786 0.74 GSK3B (0.50) GSK3BGPR35POLBTDP1L3MBTL1
SCHEMBL27363412 0.74 GPR35 (0.46) GSK3BGPR35POLBTDP1L3MBTL1

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
EP-1123291-B1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2007-07-18 EP disclosed
US-6329528-B1 REACTING ALKYL BENZTHIOIMIDATE OR ITS ACID ADDITION SALT WITH FURAN OR THIOFURAN ACID CHLORIDE COMPOUND TO PRODUCT ADDUCT-INTERMEDIATE; REACTING WITH METHYLHYDRAZINE TO PRODUCE 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC 2001-12-11 US disclosed
EP-1123291-A1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN Dow Agrosciences LLC (US) 2001-08-16 EP disclosed
WO-2000024738-A1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed