SCHEMBL8319665

SCHEMBL8319665

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NN2Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
BRD2 P25440 2/20 0.41
BRD3 Q15059 2/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MDM2 Q00987 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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 1.00 BRD4 (0.46) BRD4ALDH1A1LMNABRD2BRD3
SCHEMBL8316425 0.93 BRD4 (0.46) BRD4ALDH1A1LMNABRD2BRD3
SCHEMBL8316233 0.92 ALDH1A1 (0.41) BRD4ALDH1A1LMNABRD2BRD3
SCHEMBL8324403 0.91 BRD4 (0.44) BRD4ALDH1A1LMNABRD2BRD3
Hydrochloric Acid SCHEMBL8318882 0.91 ALDH1A1 (0.40) BRD4ALDH1A1LMNABRD2BRD3
SCHEMBL8318456 0.90 BRD4 (0.55) BRD4LMNABRD2BRD3HDAC3
SCHEMBL8316419 0.89 BRD4 (0.42) BRD4ALDH1A1BRD2BRD3HDAC3
SCHEMBL8316577 0.88 CCKBR (0.44) BRD4ALDH1A1LMNABRD2BRD3
SCHEMBL8317706 0.87 BRD4 (0.52) BRD4LMNABRD2BRD3HDAC3
SCHEMBL8316213 0.87 BRD4 (0.55) BRD4LMNABRD2BRD3HDAC3

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