SCHEMBL27465166

SCHEMBL27465166

O=C(Nc1ccc(Br)cn1)C(CC1CCCC1)c1ccc(C[SH](=O)=O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KCNH2 Q12809 3/20 0.43
▸ GCK P35557 12/20 0.37
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL27466710 0.91 KCNH2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL27482043 0.88 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL2646610 0.82 KCNH2 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL2645843 0.82 KCNH2 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL27483469 0.81 KCNH2 (0.51) RAB9ANPC1SMN1; SMN2KCNH2GCK
SCHEMBL2645916 0.81 KCNH2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL2658443 0.81 KCNH2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KCNH2
SCHEMBL27465638 0.81 GCK (0.60) KCNH2GCK
SCHEMBL27482381 0.80 KCNH2 (0.35) RAB9ANPC1KCNH2GCK
SCHEMBL27482390 0.79 PTGS1 (0.35) RAB9ANPC1KCNH2GCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN claimed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN claimed
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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