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Sugi Predict / Compounds / SCHEMBL15069440

SCHEMBL15069440

SCHEMBL15069440

Cn1cc(-c2cc(NS(=O)(=O)CS(C)(=O)=O)ccc2Oc2ccccc2)c2cc(C(=O)O)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.53
▸ BRDT Q58F21 1/20 0.53

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
SCHEMBL15069088 0.92 BRD4 (0.57) BRD4BRDT
SCHEMBL15069638 0.79 BRD4 (0.58) BRD4
SCHEMBL28388703 0.76 BRD4 (0.49) BRD4BRDT
SCHEMBL15069166 0.75 BRD4 (0.63) BRD4BRDT
SCHEMBL15069583 0.75 BRD4 (0.85) BRD4BRDT
SCHEMBL15771225 0.74 BRD4 (0.46) BRD4BRDT
SCHEMBL15069617 0.73 BRD4 (0.54) BRD4BRDT
SCHEMBL15069496 0.71 BRD4 (0.54) BRD4
SCHEMBL28514566 0.71 BRD4 (0.60) BRD4
SCHEMBL15771358 0.70 BRD4 (0.48) BRD4BRDT

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-2013097052-A1 BROMODOMAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-07-04 — — WO disclosed