SCHEMBL279349

SCHEMBL279349

Cc1nc(-c2ccc(C(F)(F)F)nc2Cl)sc1CCON(O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
PTPN1 P18031 8/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
FFAR1 O14842 1/20 0.32
MBOAT4 Q96T53 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
SCHEMBL263690 0.82 MAPT (0.36) MAPTPTPN1PPARGPPARDPPARA
SCHEMBL280301 0.80 TP53 (0.44) MAPTPTPN1PPARGPPARDPPARA
SCHEMBL280018 0.79 PPARD (0.41) MAPTPTPN1PPARGPPARDPPARA
SCHEMBL12646943 0.79 TP53 (0.42) MAPTPTPN1PPARGPPARDPPARA
SCHEMBL280320 0.78 LMNA (0.39) MAPTPTPN1LMNATP53FFAR1
SCHEMBL280036 0.78 CDC7 (0.39) MAPTPTPN1LMNATP53
SCHEMBL10205601 0.77 MAPT (0.46) MAPTPTPN1LMNATP53
SCHEMBL279885 0.76 MPL (0.42) MAPTPTPN1PPARGPPARDPPARA
SCHEMBL279236 0.76 PPARD (0.55) MAPTPPARGPPARDPPARAFFAR1
SCHEMBL279358 0.76 TP53 (0.34) MAPTPPARGPPARDPPARALMNA

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