SCHEMBL8322984

SCHEMBL8322984

COc1ccc(CN2N=C(c3ccc(C(=O)O)cc3)c3ccccc3-n3c(C)nnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.51
BRD2 P25440 11/20 0.51
BRD3 Q15059 11/20 0.51
PTGER4 P35408 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ERCC5 P28715 1/20 0.40

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
SCHEMBL8319404 0.91 BRD4 (0.47) BRD4BRD2BRD3NPC1RAB9A
SCHEMBL8319707 0.90 HDAC3 (0.49) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8316386 0.89 BRD4 (0.44) BRD4BRD2BRD3PTGER4MEN1
SCHEMBL8318824 0.89 BRD4 (0.45) BRD4BRD2BRD3MEN1NPC1
SCHEMBL8320603 0.88 BRD4 (0.48) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8317515 0.87 BRD4 (0.43) BRD4BRD2BRD3MEN1NPC1
SCHEMBL8316419 0.86 BRD4 (0.42) BRD4BRD2BRD3MEN1KMT2A
SCHEMBL8320796 0.84 BRD4 (0.48) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8316020 0.84 BRD4 (0.48) BRD4BRD2BRD3HDAC3HDAC4
SCHEMBL8318078 0.81 BRD4 (0.44) BRD4BRD2BRD3MEN1NPC1

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 1 patent. 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 disclosed