SCHEMBL279897

SCHEMBL279897

Cc1nc(-c2cccc3ccccc23)sc1CCON(O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.50
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
STAT3 P40763 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
SCHEMBL10207178 0.85 MAPT (0.40) HTR2CKDM4EALDH1A1LMNA
SCHEMBL280047 0.85 FFAR1 (0.46) HTR2CLMNA
SCHEMBL279457 0.85 TRPM8 (0.44) HTR2CALDH1A1LMNAHSD17B10
SCHEMBL279488 0.84 TP53 (0.40) HTR2CLMNA
SCHEMBL280307 0.82 P2RX7 (0.40) HTR2CKDM4EALDH1A1LMNA
SCHEMBL280301 0.82 TP53 (0.44) ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL278857 0.81 LMNA (0.48) ALDH1A1LMNA
SCHEMBL13763088 0.80 CYP1A2 (0.34) LMNA
SCHEMBL280414 0.79 TSHR (0.43) HTR2CALOX15KDM4ELMNA
SCHEMBL279266 0.79 SCN9A (0.37) LMNA

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