SCHEMBL2544113

SCHEMBL2544113

Cc1c(CO[Si](C)(C)C(C)(C)C)sc2c1C(c1ccc(Cl)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRDT Q58F21 11/20 0.54
BRD4 O60885 18/20 0.51
BRD2 P25440 3/20 0.51
BRD3 Q15059 3/20 0.51
CREBBP Q92793 2/20 0.51
DNER Q8NFT8 2/20 0.51
HDAC3 O15379 1/20 0.51
JAK2 O60674 1/20 0.51
BRD1 O95696 1/20 0.51
CCL2 P13500 1/20 0.51
HDAC4 P56524 1/20 0.51
EP300 Q09472 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL2543315 0.90 BRD4 (0.54) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL2541090 0.86 BRD4 (0.57) BRDTBRD4DNERADORA3TSPO
SCHEMBL2541095 0.86 BRD4 (0.57) BRDTBRD4DNERADORA3TSPO
SCHEMBL3199747 0.86 BRD4 (0.70) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL2541813 0.83 BRD4 (0.69) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL30320654 0.83 BRD4 (0.69) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL2541816 0.83 BRD4 (0.69) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL2543303 0.80 BRD4 (0.60) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL2543310 0.80 BRD4 (0.60) BRDTBRD4BRD2BRD3CREBBP
SCHEMBL2544116 0.79 BRDT (0.54) BRDTBRD4BRD2BRD3CREBBP

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
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed