SCHEMBL279488

SCHEMBL279488

Cc1cccc(-c2nc(C)c(CCON(O)O)s2)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
RXFP1 Q9HBX9 1/20 0.35
HTR2C P28335 4/20 0.34
PTPN1 P18031 1/20 0.33
MAPT P10636 7/20 0.33
LMNA P02545 6/20 0.33
FFAR1 O14842 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL279897 0.84 HTR2C (0.50) HTR2CLMNA
SCHEMBL280047 0.84 FFAR1 (0.46) TP53HTR2CMAPTLMNAFFAR1
SCHEMBL10207178 0.84 MAPT (0.40) TP53RXFP1HTR2CMAPTLMNA
SCHEMBL279457 0.84 TRPM8 (0.44) TP53HTR2CMAPTLMNAFFAR1
SCHEMBL280307 0.83 P2RX7 (0.40) TP53RXFP1HTR2CPTPN1MAPT
SCHEMBL13763088 0.81 CYP1A2 (0.34) TP53PTPN1MAPTLMNAFFAR1
SCHEMBL280301 0.81 TP53 (0.44) TP53PTPN1MAPTLMNAFFAR1
SCHEMBL280470 0.81 PTPN1 (0.36) TP53RXFP1PTPN1MAPTLMNA
SCHEMBL279885 0.79 MPL (0.42) TP53PTPN1MAPTLMNAFFAR1
SCHEMBL278857 0.79 LMNA (0.48) TP53MAPTLMNAFFAR1

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