SCHEMBL280395

SCHEMBL280395

CCCCCCNc1nc(C)c(CCON(O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
MMP3 P08254 1/20 0.37
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 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
SCHEMBL14294205 0.84 ALDH1A1 (0.36) ALDH1A1HPGDHRH2HRH1HRH4
SCHEMBL279767 0.80 ITGB3 (0.32) ALDH1A1HRH2HRH1HRH4
SCHEMBL280302 0.80 ITGB3 (0.32) ALDH1A1HRH2HRH1HRH4
SCHEMBL260893 0.78 ALDH1A1 (0.40) ALDH1A1HPGDHRH2HRH1HRH4
SCHEMBL280450 0.74 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL280325 0.74 ITGB3 (0.32) ALDH1A1HPGDKMT2AMEN1
SCHEMBL10205606 0.73 APEX1 (0.32)
SCHEMBL13763088 0.72 CYP1A2 (0.34) HRH2HRH1HRH4MAPTLMNA
SCHEMBL279347 0.71 COMT (0.32) HRH2HRH1HRH4NPC1RAB9A
SCHEMBL14209975 0.70 CYP1A2 (0.33) HRH2HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 US disclosed