SCHEMBL10177489

SCHEMBL10177489

Bc1ccc(-c2nc(C)cn2COCCS(C)(C)C)cc1F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL24094271 0.80 DGAT1 (0.37) BRD4DGAT1
SCHEMBL20169390 0.73 DGAT1 (0.52) DGAT1
SCHEMBL22967311 0.70 LPL (0.38) DGAT1
SCHEMBL22000136 0.70 DYRK1A (0.35) DGAT1
SCHEMBL20169374 0.67 DGAT1 (0.47) DGAT1
SCHEMBL21163665 0.64 BRD4 (0.46) BRD4DGAT1
SCHEMBL20169368 0.64 DGAT1 (0.46) DGAT1
SCHEMBL20169333 0.64 DGAT1 (0.74) DGAT1
SCHEMBL27338948 0.64 DGAT1 (0.54) BRD4DGAT1
SCHEMBL21089916 0.64 BRD4 (0.59) BRD4

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-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed