SCHEMBL5820628

SCHEMBL5820628

C[C@](N)(c1ccccc1)c1nccc(-c2sc(C3CCNCC3)nc2-c2cccc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL5813599 0.90 KCNH2 (0.51) KCNH2ACHE
SCHEMBL5818662 0.89 KCNH2 (0.44) KCNH2
SCHEMBL5818629 0.85 KCNH2 (0.60) KCNH2ACHE
SCHEMBL5819634 0.84 KCNH2 (0.48) KCNH2ACHE
SCHEMBL5820844 0.83 KCNH2 (0.41) KCNH2
SCHEMBL5820631 0.80 MAPK13 (0.55) KCNH2ACHE
SCHEMBL5818490 0.80 IKBKB (0.54) KCNH2ACHE
SCHEMBL5819618 0.80 EGFR (0.43) KCNH2
SCHEMBL5813644 0.79 CCNT1 (0.47)
SCHEMBL5818492 0.79 KCNH2 (0.44) KCNH2ACHE

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