SCHEMBL8320433

SCHEMBL8320433

Cc1nnc2n1-c1ccccc1C(c1ccccc1C(=O)O)=NN2Cc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
BRD4 O60885 8/20 0.35
BRD2 P25440 7/20 0.35
BRD3 Q15059 7/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
SETDB1 Q15047 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL8320759 0.89 BRD4 (0.42) BRS3BRD4BRD2BRD3
SCHEMBL8314769 0.86 BRD4 (0.46) CYP11B1CYP11B2BRD4BRD2BRD3
SCHEMBL8318636 0.82 BRD4 (0.47) CYP11B1CYP11B2BRD4BRD2BRD3
SCHEMBL8319774 0.81 AR (0.41) CYP11B1CYP11B2BRD4BRD2BRD3
SCHEMBL8321315 0.81 BRD4 (0.39) CYP11B1CYP11B2BRD4BRD2BRD3
Hydrochloric Acid SCHEMBL8319535 0.80 BRD4 (0.38) CYP11B1CYP11B2BRD4BRD2BRD3
SCHEMBL8317338 0.78 HDAC3 (0.40) BRD4BRD2BRD3
SCHEMBL8321540 0.77 BRD4 (0.43) CYP11B1CYP11B2BRD4BRD2BRD3
SCHEMBL8322984 0.73 BRD4 (0.51) BRD4BRD2BRD3
SCHEMBL8316889 0.73 BRD4 (0.46) BRD4BRD2BRD3

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 2 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
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed