SCHEMBL280311

SCHEMBL280311

Cc1nc(-c2cc3ccccc3s2)sc1CCON(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
APP P05067 2/20 0.37
ADRB2 P07550 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
LMNA P02545 3/20 0.34
AGXT P21549 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP19A1 P11511 1/20 0.34
IDH1 O75874 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
S1PR1 P21453 1/20 0.33
TNIK Q9UKE5 1/20 0.33
NQO1 P15559 1/20 0.33
NQO2 P16083 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL278857 0.81 LMNA (0.48) LMNATP53MAPTTHRB
SCHEMBL259711 0.80 PTGS1 (0.35) CYP2A6APPADRB2JAK2JAK3
SCHEMBL279138 0.80 KDM4E (0.49) LMNATP53MAPTTHRB
SCHEMBL13763088 0.80 CYP1A2 (0.34) LMNATP53MAPTTHRB
SCHEMBL279897 0.78 HTR2C (0.50) LMNA
SCHEMBL3822637 0.78 CYP2A6 (0.46) CYP2A6APPADRB2JAK2JAK3
SCHEMBL279457 0.78 TRPM8 (0.44) LMNATP53MAPTTHRB
SCHEMBL10207178 0.78 MAPT (0.40) LMNATP53MAPTTHRB
SCHEMBL280047 0.78 FFAR1 (0.46) LMNATP53MAPTTHRB
SCHEMBL10206606 0.77 MAPT (0.52) LMNATP53MAPT

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 5 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-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