SCHEMBL4359699

SCHEMBL4359699

O=C(O)Oc1csc(-c2cn[nH]c2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.40
DNM1L O00429 2/20 0.40
CHEK1 O14757 1/20 0.39
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 1/20 0.38
ILK Q13418 2/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AR P10275 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HPGDS O60760 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL3952859 0.78 ALDH1A1 (0.54) GPR35DNM1LCHEK1HPGDSALDH1A1
SCHEMBL4350914 0.78 HDAC1 (0.51) ARHPGDS
SCHEMBL2928098 0.76 HPGD (0.49) ARALDH1A1
SCHEMBL369872 0.74 CYP19A1 (0.59) IRAK4HPGDSALDH1A1
SCHEMBL31122128 0.73 CHEK1 (0.47) GPR35DNM1LCHEK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL31122121 0.73 CHEK1 (0.47) GPR35DNM1LCHEK1ILKAR
SCHEMBL29859845 0.72 KCNH2 (0.48) ILKAKT1AKT2ARALDH1A1
SCHEMBL2925411 0.71 CYP19A1 (0.56) ALDH1A1
SCHEMBL252583 0.71 HDAC3 (0.38)
Succinic Acid SCHEMBL31122141 0.71 CHEK1 (0.43) GPR35DNM1LCHEK1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231654-B1 NEW 2-SUBSTITUTED TIAZOL-4-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2013-07-03 EP disclosed
EP-2070925-A1 New 2-substituted tiazol-4-carboxylic acid derivatives, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-17 EP disclosed