SCHEMBL2538530

SCHEMBL2538530

Cc1sc2c(c1C)C(c1ccc(NC(=O)Cc3ccc(F)cc3)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.55
BRD2 P25440 2/20 0.54
BRD3 Q15059 2/20 0.54
BRDT Q58F21 6/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 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
HDAC5 Q9UQL6 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
SCHEMBL2538537 1.00 BRD4 (0.55) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2538602 0.93 BRD4 (0.61) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2538598 0.93 BRD4 (0.61) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2538968 0.93 BRD4 (0.65) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2538965 0.93 BRD4 (0.65) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2544144 0.91 BRD4 (0.58) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2544148 0.91 BRD4 (0.58) BRD4BRD2BRD3BRDTHDAC1
SCHEMBL2541366 0.90 BRD4 (0.60) BRD4BRD2BRD3BRDT
SCHEMBL2541368 0.90 BRD4 (0.60) BRD4BRD2BRD3BRDT
SCHEMBL2535916 0.89 BRD4 (0.64) BRD4BRD2BRD3BRDT

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