SCHEMBL280036

SCHEMBL280036

Cc1nc(-c2ccc(F)cc2Cl)sc1CCON(O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
LMNA P02545 5/20 0.39
TP53 P04637 6/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 8/20 0.37
PTPN1 P18031 2/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL280323 0.91 LMNA (0.39) LMNATP53THRBMAPTPTPN1
SCHEMBL10205601 0.88 MAPT (0.46) CDC7DBF4LMNATP53THRB
SCHEMBL279517 0.88 LMNA (0.39) LMNATP53THRBMAPT
SCHEMBL12646943 0.85 TP53 (0.42) LMNATP53MAPTPTPN1
SCHEMBL278642 0.85 MAPT (0.37) LMNATP53THRBMAPTPTPN1
SCHEMBL280320 0.84 LMNA (0.39) LMNATP53THRBMAPTPTPN1
SCHEMBL3436684 0.80 CDC7 (0.44) CDC7DBF4LMNATP53THRB
SCHEMBL279358 0.80 TP53 (0.34) LMNATP53THRBMAPT
SCHEMBL263840 0.80 S1PR4 (0.40) CDC7DBF4LMNATP53THRB
SCHEMBL280047 0.80 FFAR1 (0.46) LMNATP53THRBMAPT

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