SCHEMBL8320532

SCHEMBL8320532

Cc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1)=NN2Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
CYP19A1 P11511 5/20 0.45
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
LMNA P02545 1/20 0.41
PDE5A O76074 2/20 0.40
GSK3B P49841 2/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP4 P49662 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8316120 0.91 BRD4 (0.50) BRD4BRD2BRD3CYP19A1CYP11B1
SCHEMBL8318025 0.85 BRD4 (0.48) BRD4BRD2BRD3LMNAMAPT
SCHEMBL8317080 0.84 BRD4 (0.63) BRD4BRD2BRD3LMNASMN1; SMN2
SCHEMBL8318699 0.84 BRD4 (0.45) BRD4BRD2BRD3
SCHEMBL8318545 0.81 BRD4 (0.43) BRD4BRD2BRD3CYP11B1CYP11B2
SCHEMBL8324403 0.77 BRD4 (0.44) BRD4BRD2BRD3LMNAMAPT
SCHEMBL8322553 0.77 BRD4 (0.48) BRD4BRD2BRD3
SCHEMBL8319665 0.76 BRD4 (0.46) BRD4BRD2BRD3LMNA
SCHEMBL8317477 0.76 BRD4 (0.46) BRD4BRD2BRD3LMNA
SCHEMBL8318376 0.76 P2RX7 (0.39) BRD4GSK3B

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