SCHEMBL2474416

SCHEMBL2474416

CCc1nc(C(=O)O)c(N)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13460071 0.85 PDPK1 (0.38) NPC1RAB9AGAAMAPK1ALDH1A1
SCHEMBL1973691 0.79 ALDH1A1 (0.55) NPC1RAB9AGAAMAPK1ALDH1A1
SCHEMBL6502840 0.78 HCAR2 (0.39) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL22774382 0.78 L3MBTL1 (0.40) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL14773411 0.78 ALDH1A1 (0.37) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL7938433 0.77 NPC1 (0.34) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL2477424 0.77 RAB9A (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3358641 0.77 RAB9A (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11162603 0.74 ADRA2A (0.33) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL2829075 0.74 SMN1; SMN2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114668761-A Novel ferroportin inhibitors 威佛(国际)股份公司 2022-06-28 CN disclosed
CN-108290878-B Novel ferroportin inhibitors 威佛(国际)股份公司 2022-04-26 CN disclosed
CN-105658631-B Antibacterial thiazole carboxylic acid 安塔比奥公司 2019-06-18 CN disclosed
CN-105658631-A Antibacterial thiazolecarboxylic acids 安塔比奥公司 2016-06-08 CN disclosed
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2935267-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2015-10-28 EP disclosed
WO-2014095979-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO disclosed
EP-2373648-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-10-12 EP disclosed
WO-2010063422-A1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-06-10 WO disclosed
EP-2194052-A1 Substituted 1.(1-thiazolyl)- and 1-(isothiazolyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-06-09 EP disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed