SCHEMBL280307

SCHEMBL280307

Cc1nc(-c2cccc(Cl)c2Cl)sc1CCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
HTR2C P28335 3/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
FFAR2 O15552 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 3/20 0.36
PANK3 Q9H999 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.33
PTPN11 Q06124 3/20 0.32
TLR7 Q9NYK1 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL280469 0.86 SCN3A (0.39) FFAR2MAPTPTPN1LMNATP53
SCHEMBL280470 0.83 PTPN1 (0.36) MAPTPTPN1RXFP1LMNATP53
SCHEMBL279488 0.83 TP53 (0.40) HTR2CMAPTPTPN1RXFP1LMNA
SCHEMBL279897 0.82 HTR2C (0.50) HTR2CALDH1A1KDM4ELMNA
SCHEMBL280047 0.81 FFAR1 (0.46) HTR2CMAPTLMNATP53
SCHEMBL10207178 0.81 MAPT (0.40) HTR2CMAPTALDH1A1NPC1RAB9A
SCHEMBL279457 0.81 TRPM8 (0.44) HTR2CCDC7DBF4MAPTALDH1A1
SCHEMBL280290 0.81 MAPT (0.39) MAPTALDH1A1PTPN1LMNATP53
SCHEMBL10205601 0.81 MAPT (0.46) CDC7DBF4MAPTALDH1A1RAB9A
SCHEMBL260362 0.79 P2RX7 (0.41) P2RX7HTR2CCDC7DBF4FFAR2

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