SCHEMBL279867

SCHEMBL279867

Cc1nc(Cc2cccs2)sc1CCON(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 8/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
POLB P06746 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HIF1A Q16665 2/20 0.34
ESR2 Q92731 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 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
SCHEMBL13908546 0.83 CYP1A2 (0.33)
SCHEMBL279138 0.82 KDM4E (0.49) ALDH1A1KDM4EGAAMAPTTP53
SCHEMBL14209975 0.78 CYP1A2 (0.33)
SCHEMBL280316 0.74 HRH2 (0.39) ALDH1A1KDM4EMAPTTP53LMNA
SCHEMBL13763088 0.74 CYP1A2 (0.34) MAPTTP53LMNATHRB
SCHEMBL279521 0.73 MAPT (0.45) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL278857 0.73 LMNA (0.48) ALDH1A1GAAMAPTTP53LMNA
SCHEMBL280072 0.72 FBP1 (0.31) FBP1
SCHEMBL279066 0.72 PTGS1 (0.40) KDM4EMAPTTP53LMNASMN1; SMN2
SCHEMBL279881 0.72 CDC7 (0.47) MAPTTP53LMNATHRBPOLB

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