SCHEMBL279899

SCHEMBL279899

Cc1nc(-c2ccc(N(C)C)cc2)sc1CCON(O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
APP P05067 8/20 0.41
TP53 P04637 6/20 0.40
MAPT P10636 7/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL280312 0.88 MAPT (0.47) TP53MAPTGAAKDM4ERAB9A
SCHEMBL279894 0.88 MAPT (0.40) TP53MAPTLMNAPPARGPPARD
SCHEMBL279195 0.86 MAPT (0.41) APPTP53MAPTGLAGAA
SCHEMBL10207171 0.86 MAPT (0.49) TP53MAPTGAAKDM4ENPC1
SCHEMBL278857 0.85 LMNA (0.48) TP53MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL279881 0.84 CDC7 (0.47) TP53MAPTLMNAPPARGPPARD
SCHEMBL279959 0.84 MAPT (0.53) TP53MAPTLMNAPPARGPPARD
SCHEMBL279236 0.82 PPARD (0.55) MAPTGAANPC1ALDH1A1PPARG
SCHEMBL279559 0.82 MAPT (0.56) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL12646822 0.82 KMT2A (0.43) TP53MAPTKDM4ENPC1RAB9A

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