SCHEMBL280305

SCHEMBL280305

Cc1ccc(F)cc1Nc1nc(C)c(CCON(O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GAA P10253 2/20 0.35

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
SCHEMBL279243 0.82 PTGDR2 (0.43) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL260259 0.81 TP53 (0.35) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL10205608 0.77 CCR4 (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL280339 0.76 GAA (0.55) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL279517 0.76 LMNA (0.39) LMNAMAPTTP53
SCHEMBL280460 0.75 GAA (0.40) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL279767 0.75 ITGB3 (0.32) ALDH1A1GAA
SCHEMBL280302 0.75 ITGB3 (0.32) ALDH1A1
SCHEMBL12646824 0.74 PTGDR2 (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL280485 0.74 DHODH (0.40) MAPTKDM4EALDH1A1GAADHODH

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