SCHEMBL280323

SCHEMBL280323

Cc1nc(-c2cc(F)ccc2Cl)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
TP53 P04637 6/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 9/20 0.37
PTPN1 P18031 2/20 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
SCHEMBL280036 0.91 CDC7 (0.39) LMNATP53THRBMAPTPTPN1
SCHEMBL279517 0.86 LMNA (0.39) LMNATP53THRBMAPT
SCHEMBL278642 0.85 MAPT (0.37) LMNATP53THRBMAPTPTPN1
SCHEMBL12646943 0.83 TP53 (0.42) LMNATP53MAPTPTPN1
SCHEMBL280320 0.82 LMNA (0.39) LMNATP53THRBMAPTPTPN1
SCHEMBL10205601 0.81 MAPT (0.46) LMNATP53THRBMAPTPTPN1
SCHEMBL280158 0.80 MAPT (0.41) LMNATP53THRBMAPTPTPN1
SCHEMBL264051 0.80 S1PR4 (0.38) LMNATP53THRBMAPTPTPN1
SCHEMBL280047 0.80 FFAR1 (0.46) LMNATP53THRBMAPT
SCHEMBL280465 0.80 MAPT (0.47) LMNATP53THRBMAPTPTPN1

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