SCHEMBL2505082

SCHEMBL2505082

Cc1nn(-c2cncs2)c(-c2ccc(Cl)cc2)c1C(C)(C(=O)O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.33
SLC22A12 Q96S37 1/20 0.33
CNR2 P34972 5/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL1359508 0.74 PTGDR2 (0.39) CNR1CNR2
SCHEMBL2501577 0.67 TYMP (0.33) CNR1CNR2
SCHEMBL15653888 0.63 MEN1 (0.44) SLC22A12
SCHEMBL7550366 0.63 MEN1 (0.44) SLC22A12
SCHEMBL3554824 0.58 CHRM3 (0.44)
SCHEMBL12859317 0.56 PDE2A (0.42) CNR1CNR2
SCHEMBL15143119 0.56 NAPRT (0.41)
SCHEMBL1431030 0.55 CYP1A2 (0.37) CNR1CNR2
SCHEMBL4512658 0.55 AVPR2 (0.38) CNR1CNR2
SCHEMBL22758103 0.54 KMT2A (0.42)

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-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-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