SCHEMBL279243

SCHEMBL279243

Cc1nc(Nc2ccccc2F)sc1CCON(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
RAB9A P51151 8/20 0.40
NPC1 O15118 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CLK1 P49759 1/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL10205608 0.86 CCR4 (0.45) PTGDR2RAB9ANPC1MEN1KMT2A
SCHEMBL280339 0.83 GAA (0.55) PTGDR2RAB9ANPC1MEN1KMT2A
SCHEMBL280305 0.82 LMNA (0.37) PTGDR2RAB9ANPC1MEN1KMT2A
SCHEMBL263856 0.80 PTGDR2 (0.41) PTGDR2RAB9ANPC1MEN1KMT2A
SCHEMBL280047 0.78 FFAR1 (0.46) MAPTTP53THRBLMNA
SCHEMBL280460 0.77 GAA (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL280302 0.77 ITGB3 (0.32) ALDH1A1
SCHEMBL279767 0.77 ITGB3 (0.32) ALDH1A1GAA
SCHEMBL12646824 0.76 PTGDR2 (0.45) PTGDR2RAB9ANPC1MEN1KMT2A
SCHEMBL279877 0.73 ALDH1A1 (0.34) RAB9AMAPTCDK4CDK2ALDH1A1

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