SCHEMBL10608201

SCHEMBL10608201

CCc1[nH]c(=O)sc1C(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.44
CDK2 P24941 5/20 0.44
POLB P06746 1/20 0.43
CHRM4 P08173 2/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40

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
SCHEMBL10608205 0.82 CHRM4 (0.48) CCNA2CDK2CHRM4CDK5CDK5R1
SCHEMBL7434193 0.76 PDE3B (0.70) NPC1RAB9ASMN1; SMN2MAP2K1ALDH1A1
SCHEMBL10474704 0.75 HTR7 (0.41) CCNA2CDK2NPC1RAB9ASMN1; SMN2
SCHEMBL5089702 0.70 MAP2K1 (0.51) POLBNPC1RAB9ASMN1; SMN2MAP2K1
SCHEMBL9484144 0.69 MAP2K1 (0.48) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL1242243 0.69 ALDH1A1 (0.71) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL29915528 0.69 ALDH1A1 (0.71) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL10829884 0.68 SMN1; SMN2 (0.64) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27841975 0.67 ALDH1A1 (0.68) MAP2K1ALDH1A1APPGAAHCAR3
SCHEMBL10662778 0.66 CHRM4 (0.57) CCNA2CDK2POLBCHRM4CDK5

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
CN-1020730-C PREPARING METHOD FOR THIAZOLKETONE ADDITIVE MERRELL DOW PHARMA (US) 1993-05-19 CN disclosed
EP-0219625-B1 CARDIOTONIC HETEROCYCLOCARBONYL- AND ACETYL-THIAZOLONES MERRELL DOW PHARMACEUTICALS INC. (US) 1989-11-29 EP disclosed
EP-0219625-A1 Cardiotonic heterocyclocarbonyl- and acetyl-thiazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-29 EP disclosed
CN-86104968-A Cardiotonic heterocyclic carbonyl and acetyl thiazolones 1987-04-22 CN disclosed
US-4623651-A Cardiotonic heterocyclocarbonyl- and acetyl-thiazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1986-11-18 US disclosed