SCHEMBL8316267

SCHEMBL8316267

COc1ccc([N+](=O)[O-])cc1CN1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.41
BRD2 P25440 2/20 0.39
BRD3 Q15059 2/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TACR1 P25103 1/20 0.37
ALDH1A1 P00352 5/20 0.37
APOBEC3A P31941 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8636330 0.92 BRD4 (0.41) BRD4BRD2BRD3MAPTNPC1
SCHEMBL8318916 0.87 BRD4 (0.45) BRD4BRD2BRD3LMNA
SCHEMBL8324403 0.86 BRD4 (0.44) BRD4BRD2BRD3MAPTNPC1
SCHEMBL8801054 0.86 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1SMN1; SMN2
SCHEMBL8316425 0.86 BRD4 (0.46) BRD4BRD2BRD3NPC1RAB9A
SCHEMBL8317879 0.85 BRD4 (0.41) BRD4BRD2BRD3ALDH1A1HTT
SCHEMBL8319665 0.85 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1KMT2A
SCHEMBL8317477 0.85 BRD4 (0.46) BRD4BRD2BRD3ALDH1A1KMT2A
SCHEMBL8320784 0.85 BRD4 (0.47) BRD4BRD2BRD3ALDH1A1SMN1; SMN2
SCHEMBL8319427 0.85 ALDH1A1 (0.53) BRD4BRD2BRD3ALDH1A1KMT2A

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