SCHEMBL27920107

SCHEMBL27920107

O=C(O)c1sc(-c2ccccc2)nc1-c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
ALDH1A1 P00352 6/20 0.67
PPARG P37231 1/20 0.67
NCOA2 Q15596 1/20 0.67
NCOA1 Q15788 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
CDC7 O00311 6/20 0.65
DBF4 Q9UBU7 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.55
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL974859 0.82 CDC7 (0.84) KDM4EALDH1A1CDC7DBF4SMN1; SMN2
SCHEMBL16113884 0.79 CDC7 (1.00) KDM4EALDH1A1CDC7DBF4SMN1; SMN2
SCHEMBL289704 0.77 KDM4E (0.79) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL14148666 0.77 ALDH1A1 (0.59) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL5528298 0.75 KDM4E (0.52) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL14148653 0.75 CDC7 (0.61) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL975863 0.75 CDC7 (0.68) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL4485015 0.75 CDC7 (0.71) KDM4EALDH1A1CDC7DBF4SMN1; SMN2
SCHEMBL8823109 0.73 CDC7 (0.61) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL8823093 0.73 SMN1; SMN2 (0.63) KDM4EALDH1A1CDC7DBF4SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 CN claimed
CN-103333134-B 2-(3-cyano group-4-alkoxyl group) phenyl-4-substituted thiazole-5-formic acid compound, composition and method of making the same and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-02-24 CN disclosed
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 CN disclosed