SCHEMBL5817042

SCHEMBL5817042

C[S+]([O-])c1nccc(-c2scnc2-c2cccc(Cl)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORB Q92753 2/20 0.38
TGFBR1 P36897 1/20 0.38
KMO O15229 1/20 0.38
CYP19A1 P11511 1/20 0.38
PLK1 P53350 1/20 0.36
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
MAPK14 Q16539 1/20 0.34
ADORA2B P29275 1/20 0.34
MAP4K4 O95819 1/20 0.33
TDO2 P48775 1/20 0.33
ABL1 P00519 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL5819177 0.87 MAPK14 (0.38) KMOADORA1MAPK14MAP4K4
SCHEMBL5815412 0.86 KMO (0.38) KMOADORA2AADORA1CDK4CDK2
SCHEMBL5815206 0.84 KMO (0.41) RORBKMOADORA2AADORA1MAPK14
SCHEMBL5812694 0.82 TGFBR1 (0.59) RORBTGFBR1KMOCYP19A1CDK4
SCHEMBL5815219 0.81 MAPK14 (0.52) TGFBR1MAPK14MAP4K4
SCHEMBL5818860 0.79 LMNA (0.44) RORBTGFBR1KMOCYP19A1PLK1
SCHEMBL5818004 0.79 MEN1 (0.33) TGFBR1CDK2MAPK14
SCHEMBL5813457 0.77 NPC1 (0.39) CYP19A1
SCHEMBL5819156 0.77 HPGD (0.42) TGFBR1ADORA1CNR2MAPK14ADORA2B
SCHEMBL5817592 0.74 TGFBR1 (0.35) TGFBR1ADORA2ACDK4CDK2MAPK14

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