SCHEMBL2659011

SCHEMBL2659011

CS(=O)(=O)[AsH]c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 12/20 0.77
▸ KCNH2 Q12809 1/20 0.67
▸ FFAR2 O15552 4/20 0.64
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 1/20 0.47

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
Ro-281675 SCHEMBL7089685 0.87 GCK (1.00) GCKKCNH2FFAR2
Ro-281675 SCHEMBL2646000 0.87 GCK (1.00) GCKKCNH2FFAR2
Ro-281675 SCHEMBL2645615 0.87 GCK (1.00) GCKKCNH2FFAR2
SCHEMBL2645004 0.86 GCK (0.98) GCKKCNH2FFAR2
SCHEMBL2645066 0.86 GCK (0.98) GCKKCNH2FFAR2
SCHEMBL2650222 0.85 GCK (0.79) GCKKCNH2FFAR2CYP1A2CYP3A4
SCHEMBL2659048 0.85 GCK (0.77) GCKKCNH2FFAR2CYP1A2CYP3A4
SCHEMBL2646496 0.84 GCK (0.83) GCKKCNH2FFAR2CYP1A2CYP3A4
SCHEMBL2649427 0.84 GCK (0.76) GCKKCNH2FFAR2CYP1A2CYP3A4
SCHEMBL2644739 0.84 GCK (0.76) GCKKCNH2FFAR2CYP1A2CYP3A4

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
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 — — EP disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 — — WO disclosed
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