SCHEMBL8319429

SCHEMBL8319429

COc1ccc(CN2N=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
NR1I3 Q14994 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
SCN9A Q15858 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 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
SCHEMBL8319343 0.94 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318423 0.94 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318844 0.91 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318456 0.89 BRD4 (0.55) BRD4HPGDBRD2BRD3LMNA
SCHEMBL8320603 0.89 BRD4 (0.48) BRD4SMN1; SMN2BRD2BRD3LMNA
SCHEMBL8317879 0.88 BRD4 (0.41) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318777 0.88 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8319389 0.87 BRD4 (0.46) BRD4BRD2BRD3LMNAHDAC1
SCHEMBL8320572 0.87 BRD4 (0.49) BRD4HPGDBRD2BRD3ALDH1A1
SCHEMBL8317706 0.86 BRD4 (0.52) BRD4HPGDBRD2BRD3LMNA

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