SCHEMBL8318844

SCHEMBL8318844

COc1cc(CN2N=C(c3ccc(Cl)cc3)c3ccccc3-n3c(C)nnc32)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
PTAFR P25105 1/20 0.36
AVPR2 P30518 1/20 0.36

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
SCHEMBL8318055 0.92 BRD4 (0.47) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8319429 0.91 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8319343 0.88 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318423 0.88 BRD4 (0.46) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8318456 0.87 BRD4 (0.55) BRD4HPGDBRD2BRD3LMNA
SCHEMBL8320603 0.87 BRD4 (0.48) BRD4SMN1; SMN2BRD2BRD3LMNA
SCHEMBL8317832 0.86 BRD4 (0.55) BRD4HPGDBRD2BRD3LMNA
SCHEMBL8320784 0.86 BRD4 (0.47) BRD4SMN1; SMN2HPGDBRD2BRD3
SCHEMBL8314701 0.85 BRD4 (0.50) BRD4HPGDBRD2BRD3LMNA
SCHEMBL8319389 0.85 BRD4 (0.46) BRD4BRD2BRD3LMNAHDAC1

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