SCHEMBL5817752

SCHEMBL5817752

COc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.56
ACHE P22303 1/20 0.56

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
SCHEMBL5817691 0.99 KCNH2 (0.56) KCNH2ACHE
SCHEMBL5817158 0.96 KCNH2 (0.58) KCNH2ACHE
SCHEMBL5819029 0.88 KCNH2 (0.53) KCNH2
SCHEMBL5818589 0.88 KCNH2 (0.70) KCNH2ACHE
SCHEMBL5819251 0.88 KCNH2 (0.52) KCNH2
SCHEMBL5815455 0.87 KCNH2 (0.69) KCNH2ACHE
SCHEMBL5813464 0.87 KCNH2 (0.69) KCNH2ACHE
SCHEMBL5819392 0.86 KCNH2 (0.70) KCNH2ACHE
SCHEMBL5815611 0.84 KCNH2 (0.54) KCNH2
SCHEMBL5818941 0.84 EGFR (0.43) KCNH2

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 1 patent. 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 disclosed