SCHEMBL5813449

SCHEMBL5813449

CSc1nccc(-c2scnc2-c2ccccc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TGFBR1 P36897 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPK14 Q16539 4/20 0.35
CSNK1E P49674 2/20 0.35
CSNK1D P48730 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
JAK3 P52333 1/20 0.35
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK5 Q00535 2/20 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
SCHEMBL6325982 0.85 KDM4E (0.41) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL6260027 0.82 KDM4E (0.52) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL3573674 0.81 LMNA (0.50) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL5819592 0.81 LMNA (0.47) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL5815955 0.81 TGFBR1 (0.56) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL5817322 0.80 MAPK14 (0.52) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL5817592 0.78 TGFBR1 (0.35) TGFBR1CDC7DBF4MAPK14CDK2
SCHEMBL5818427 0.78 KDM4E (0.42) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL3053665 0.77 CSNK1E (0.43) KDM4EL3MBTL1MAPK1NPSR1LMNA
SCHEMBL3058426 0.77 LMNA (0.40) KDM4EL3MBTL1MAPK1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed