SCHEMBL280317

SCHEMBL280317

Cc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)sc1CCON(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
LMNA P02545 5/20 0.41
PTGS1 P23219 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
PTGS2 P35354 2/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL280443 0.83 KMT2A (0.37) KMT2ADRD3
SCHEMBL263846 0.83 AKR1C3 (0.40) AKR1C3AKR1C2LMNAPTGS1MEN1
SCHEMBL280151 0.78 GAA (0.38) LMNAMEN1KMT2ADRD3HTT
SCHEMBL280177 0.77 ABCB11 (0.41) AKR1C3AKR1C2LMNAPTGS1MAPT
SCHEMBL279332 0.75 ALOX5 (0.34) AKR1C3AKR1C2LMNAPTGS1PTGS2
SCHEMBL280316 0.72 HRH2 (0.39) LMNAMAPTTSHRHPGDSMN1; SMN2
SCHEMBL278857 0.72 LMNA (0.48) LMNAMAPTSMN1; SMN2FFAR1
SCHEMBL280047 0.71 FFAR1 (0.46) LMNAMAPTHTR2CFFAR1
SCHEMBL280462 0.70
SCHEMBL280320 0.69 LMNA (0.39) LMNAMAPTFFAR1

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