SCHEMBL5818792

SCHEMBL5818792

CCN(c1ccccc1)c1nccc(-c2sc(C3(O)CCN(C)CC3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.40
MAPK9 P45984 2/20 0.38
GAA P10253 1/20 0.38
MAPK13 O15264 6/20 0.37
MAPK12 P53778 6/20 0.37
MAPK11 Q15759 6/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMO O15229 1/20 0.34
CXCR1 P25024 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
RPS6KA3 P51812 1/20 0.33
OPRD1 P41143 1/20 0.33
GSK3B P49841 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
SCHEMBL5819534 0.89 MAPK14 (0.38) MAPK14MAPK9MAPK13MAPK12MAPK11
SCHEMBL5815554 0.88 SYK (0.42) MAPK14GAAKMO
SCHEMBL5819457 0.86 EGFR (0.39) MAPK14MAPK9MAPK11
SCHEMBL5814145 0.83 PIK3CA (0.33)
SCHEMBL5818795 0.81 HRH4 (0.43) MAPK14MAPK9MAPK13MAPK12MAPK11
SCHEMBL5818356 0.80 PTGDR2 (0.36) MAPK14MAPK13MAPK12MAPK11KMO
SCHEMBL5819125 0.79 CKS1B (0.38) OPRD1
SCHEMBL5813665 0.79 MAPK9 (0.57) MAPK14MAPK9MAPK13MAPK12MAPK11
SCHEMBL5819870 0.78 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11KMO
SCHEMBL5817940 0.78 MAPK9 (0.61) MAPK14MAPK9MAPK13MAPK12MAPK11

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