SCHEMBL8317053

SCHEMBL8317053

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NN2Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.45
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
GSK3B P49841 1/20 0.37
CCKBR P32239 1/20 0.37
TYR P14679 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
HSD11B1 P28845 1/20 0.37
ACHE P22303 1/20 0.36
METAP2 P50579 1/20 0.35

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
SCHEMBL8317477 0.86 BRD4 (0.46) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8319665 0.86 BRD4 (0.46) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8320130 0.85 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8316964 0.85 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8316425 0.84 BRD4 (0.46) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8321839 0.84 BRD4 (0.49) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8318456 0.83 BRD4 (0.55) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8317879 0.83 BRD4 (0.41) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8316267 0.83 BRD4 (0.41) BRD4BRD2BRD3
SCHEMBL8324403 0.83 BRD4 (0.44) BRD4BRD2BRD3CCKBRHDAC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP claimed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US claimed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP claimed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed