SCHEMBL10060025

SCHEMBL10060025

Nc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)N[S+]3[O-])cc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.31

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
SCHEMBL10060021 0.89 BRD4 (0.30)
SCHEMBL15158884 0.89
SCHEMBL10060011 0.88 FFAR1 (0.32)
SCHEMBL10060024 0.85 FFAR1 (0.31)
SCHEMBL10060023 0.84 PDE4A (0.32)
SCHEMBL10060009 0.83 FFAR1 (0.35)
SCHEMBL1688287 0.82 FFAR1 (0.31)
SCHEMBL10060010 0.82 ALOX5AP (0.30)
SCHEMBL1688247 0.82 CDK8 (0.30) CDK8
SCHEMBL16997145 0.81 FFAR1 (0.33)

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-2012046869-A1 CYCLIC AMIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-04-12 WO disclosed