SCHEMBL7439587

SCHEMBL7439587

CCC1(CC(=O)O)C(=O)N(CCc2ccccc2)Cc2cc(NC)ccc2N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ITGB3 P05106 5/20 0.34
ITGA2B P08514 5/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PRKCA P17252 1/20 0.34
ITGAV P06756 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B3 P37058 1/20 0.33

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
SCHEMBL7397833 0.79 PARP1 (0.41) BRD4PARP1PARP2ITGB3ITGA2B
SCHEMBL7399202 0.77 ATM (0.40) PARP1PARP2
SCHEMBL7441463 0.76 MIF (0.40) BRD4ITGB3ITGA2B
SCHEMBL7398372 0.72 ITGB3 (0.40) BRD4ITGB3ITGA2BITGAV
SCHEMBL7439572 0.70 HRH4 (0.39) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL6654075 0.69 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7395731 0.65 PARP1 (0.39) PARP1PARP2ITGB3ITGA2BITGAV
SCHEMBL7399738 0.62 ATM (0.40)
SCHEMBL7402210 0.62 PARP1 (0.39) BRD4PARP1PARP2ITGB3ITGA2B
SCHEMBL13545313 0.61 NR3C1 (0.48) BRD4PARP1HDAC4HDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed