SCHEMBL8317832

SCHEMBL8317832

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NN2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.55
BRD2 P25440 6/20 0.45
BRD3 Q15059 6/20 0.45
CCKBR P32239 1/20 0.43
LMNA P02545 1/20 0.42
GABRA1 P14867 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
OPRK1 P41145 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41

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 0.97 BRD4 (0.55) BRD4BRD2BRD3CCKBRLMNA
SCHEMBL8316213 0.96 BRD4 (0.55) BRD4BRD2BRD3CCKBRLMNA
SCHEMBL8317706 0.93 BRD4 (0.52) BRD4BRD2BRD3CCKBRLMNA
SCHEMBL8317813 0.93 BRD4 (0.53) BRD4BRD2BRD3CCKBRLMNA
SCHEMBL8317106 0.92 BRD4 (0.51) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8316009 0.92 BRD4 (0.49) BRD4BRD2BRD3CCKBRLMNA
SCHEMBL8322553 0.92 BRD4 (0.48) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8318236 0.91 BRD4 (0.50) BRD4BRD2BRD3CCKBRHDAC3
SCHEMBL8321711 0.91 BRD4 (0.50) BRD4BRD2BRD3CCKBRHPGD
SCHEMBL8317415 0.91 BRD4 (0.50) 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