SCHEMBL280453

SCHEMBL280453

Cc1nc(C(=O)Oc2ccccc2)sc1CCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
EDNRA P25101 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HRH2 P25021 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
IDO1 P14902 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
SCHEMBL10207178 0.72 MAPT (0.40) MAPTGAAKDM4ETDP1RAB9A
SCHEMBL279977 0.71 L3MBTL1 (0.39) MAPTGAATDP1RAB9AKMT2A
SCHEMBL279611 0.70 KDM4E (0.44) MAPTKDM4ELMNATP53THRB
SCHEMBL13763088 0.70 CYP1A2 (0.34) MAPTLMNATP53THRBFFAR1
SCHEMBL279873 0.70 ALDH1A1 (0.39) GAATP53THRBALDH1A1HRH2
SCHEMBL279627 0.69 LMNA (0.51) GAAKDM4ETDP1RAB9ALMNA
SCHEMBL280469 0.67 SCN3A (0.39) MAPTLMNATP53THRBPTPN1
SCHEMBL279961 0.67 CYP1A2 (0.32) HRH2HRH4
SCHEMBL279508 0.65 MAPT (0.50) MAPTGAALMNATP53THRB
SCHEMBL279195 0.65 MAPT (0.41) MAPTGAAKDM4ERAB9ALMNA

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