SCHEMBL5396576

SCHEMBL5396576

CC(C)(C)OC(=O)NCCCCN1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ DRD2 P14416 8/20 0.50
▸ SIGMAR1 Q99720 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TPSAB1 Q15661 1/20 0.45
▸ TPSD1 Q9BZJ3 1/20 0.45
▸ TPSG1 Q9NRR2 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ BRD4 O60885 1/20 0.44

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
SCHEMBL5386494 0.90 DRD2 (0.50) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL5387082 0.89 DRD2 (0.51) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL5391426 0.86 DRD2 (0.49) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL8139824 0.86 BRD4 (0.53) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL31655700 0.85 TPSAB1 (0.54) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL22291518 0.85 TPSAB1 (0.54) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL9773851 0.85 TPSAB1 (0.54) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL5386708 0.84 DRD2 (0.50) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL18942729 0.83 AKT1 (0.49) HDAC3HDAC1HDAC8HDAC6DRD2
SCHEMBL25974776 0.82 MALT1 (0.52) HDAC3HDAC1HDAC8HDAC6DRD2

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
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 — — US disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 — — EP disclosed
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