SCHEMBL8317986

SCHEMBL8317986

Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(=O)Nc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.82
▸ HDAC4 P56524 11/20 0.82
▸ HDAC1 Q13547 11/20 0.82
▸ HDAC7 Q8WUI4 11/20 0.82
▸ HDAC2 Q92769 11/20 0.82
▸ HDAC10 Q969S8 11/20 0.82
▸ HDAC11 Q96DB2 11/20 0.82
▸ HDAC8 Q9BY41 11/20 0.82
▸ HDAC6 Q9UBN7 11/20 0.82
▸ HDAC9 Q9UKV0 11/20 0.82
▸ HDAC5 Q9UQL6 11/20 0.82
▸ BRD4 O60885 8/20 0.67
▸ BRD2 P25440 2/20 0.67
▸ BRD3 Q15059 2/20 0.67
▸ CCKBR P32239 1/20 0.65

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
SCHEMBL8317358 0.95 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8322190 0.91 BRD4 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26258732 0.91 HDAC1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12671497 0.89 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25269620 0.88 BRD4 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29379698 0.88 BRD4 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29379875 0.88 BRD4 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15981566 0.88 BRD4 (0.85) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25223951 0.88 BRD4 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17859087 0.88 HDAC3 (0.80) 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
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