SCHEMBL5812178

SCHEMBL5812178

CSc1nccc(-c2sc(N)nc2-c2cccc(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.61
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RORB Q92753 1/20 0.42
MAP4K4 O95819 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CSNK1E P49674 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5818798 0.88 LMNA (0.47) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL5818242 0.87 MAPK14 (0.47) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL5817233 0.87 TGFBR1 (0.46) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL5819641 0.86 TGFBR1 (0.45) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL5779376 0.86 ALDH1A1 (0.55) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL24761211 0.84 TGFBR1 (0.67) TGFBR1LMNAMAPK1KDM4ERORB
SCHEMBL5819199 0.84 MAPK14 (0.52) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL5818966 0.84 KDM1A (0.45) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL5817815 0.84 MAPK14 (0.44) TGFBR1LMNAMAPK1L3MBTL1KDM4E
SCHEMBL3061862 0.82 MAP4K4 (0.48) TGFBR1LMNAL3MBTL1KDM4EMAP4K4

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