SCHEMBL2645944

SCHEMBL2645944

CCS(=O)(=O)c1ccc(Oc2cc(Oc3ccc(F)cc3C#N)c3nc(-c4cnccn4)[nH]c3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 17/20 0.35
DHODH Q02127 1/20 0.34
GCK P35557 1/20 0.34
CYP19A1 P11511 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
SCHEMBL2646258 0.96 CYP19A1 (0.35) SLC22A12DHODHGCKCYP19A1
SCHEMBL2645416 0.93 DHODH (0.41) DHODHGCKCYP19A1
SCHEMBL2644099 0.89 GCK (0.36) DHODHGCK
SCHEMBL2643771 0.87 GCK (0.34) SLC22A12DHODHGCKCYP19A1
SCHEMBL2645048 0.86 GCK (0.37) DHODHGCK
SCHEMBL2646359 0.86 CBFB (0.43) DHODHGCK
SCHEMBL2646807 0.85 GCK (0.36) DHODHGCK
SCHEMBL2646069 0.85 DHODH (0.42) SLC22A12DHODHGCKCYP19A1
SCHEMBL2643868 0.83 GCK (0.37) DHODHGCK
SCHEMBL2645487 0.83 GCK (0.37) DHODHGCK

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-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed