SCHEMBL280320

SCHEMBL280320

Cc1nc(-c2ccc(Cl)cc2F)sc1CCON(O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
PTPN1 P18031 7/20 0.38
TP53 P04637 4/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 7/20 0.37
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL10205601 0.88 MAPT (0.46) LMNAPTPN1TP53THRBMAPT
SCHEMBL280047 0.84 FFAR1 (0.46) LMNATP53THRBMAPTFFAR1
SCHEMBL280036 0.84 CDC7 (0.39) LMNAPTPN1TP53THRBMAPT
SCHEMBL280484 0.83 LMNA (0.45) LMNAPTPN1TP53MAPTKDM4E
SCHEMBL278642 0.83 MAPT (0.37) LMNAPTPN1TP53THRBMAPT
SCHEMBL280465 0.82 MAPT (0.47) LMNAPTPN1TP53THRBMAPT
SCHEMBL280323 0.82 LMNA (0.39) LMNAPTPN1TP53THRBMAPT
SCHEMBL279517 0.81 LMNA (0.39) LMNATP53THRBMAPT
SCHEMBL10207171 0.81 MAPT (0.49) LMNAPTPN1TP53THRBMAPT
SCHEMBL280310 0.80 MAPT (0.35) LMNAPTPN1TP53THRBMAPT

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