SCHEMBL280074

SCHEMBL280074

Cc1nc(CCCCC2CCSS2)sc1CCON(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
TARDBP Q13148 2/20 0.35
ACHE P22303 2/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL280279 0.80 BCHE (0.42) HSD17B10KMT2ATARDBPACHECYP2C9
SCHEMBL14209975 0.77 CYP1A2 (0.33)
SCHEMBL13908546 0.75 CYP1A2 (0.33)
SCHEMBL279347 0.71 COMT (0.32)
SCHEMBL280072 0.68 FBP1 (0.31)
SCHEMBL280344 0.68
SCHEMBL279604 0.68 ALDH1A1 (0.33) HSD17B10KMT2AMEN1ALDH1A1
SCHEMBL280046 0.67 HRH2 (0.56) ALDH1A1
SCHEMBL280243 0.67
SCHEMBL279873 0.67 ALDH1A1 (0.39) ALDH1A1THRB

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