SCHEMBL8320494

SCHEMBL8320494

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NN2Cc1ccc(NC=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.48
HDAC3 O15379 6/20 0.47
HDAC4 P56524 6/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC7 Q8WUI4 6/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC10 Q969S8 6/20 0.47
HDAC11 Q96DB2 6/20 0.47
HDAC8 Q9BY41 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
HDAC9 Q9UKV0 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47
CCKBR P32239 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43

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
SCHEMBL8318456 0.89 BRD4 (0.55) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8318973 0.87 CCKBR (0.53) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8316213 0.86 BRD4 (0.55) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8317706 0.86 BRD4 (0.52) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8319033 0.86 BRD4 (0.47) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8318012 0.86 HDAC3 (0.52) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8317832 0.86 BRD4 (0.55) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8321711 0.84 BRD4 (0.50) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8318236 0.84 BRD4 (0.50) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8316853 0.84 BRD4 (0.50) BRD4HDAC3HDAC4HDAC1HDAC7

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