SCHEMBL8319707

SCHEMBL8319707

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NN2Cc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.49
HDAC4 P56524 6/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC7 Q8WUI4 6/20 0.49
HDAC2 Q92769 6/20 0.49
HDAC10 Q969S8 6/20 0.49
HDAC11 Q96DB2 6/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
HDAC9 Q9UKV0 6/20 0.49
HDAC5 Q9UQL6 6/20 0.49
BRD4 O60885 13/20 0.48
BRD2 P25440 7/20 0.48
BRD3 Q15059 7/20 0.48
CCKBR P32239 1/20 0.46

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
SCHEMBL8318456 0.91 BRD4 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8316213 0.90 BRD4 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8317832 0.90 BRD4 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8320796 0.90 BRD4 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8316020 0.90 BRD4 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8322984 0.90 BRD4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8318973 0.89 CCKBR (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8316419 0.88 BRD4 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8318236 0.88 BRD4 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8317706 0.88 BRD4 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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