SCHEMBL7329123

SCHEMBL7329123

N=C(N)NCCNC(=O)CCc1ccc2c(c1)C(=O)N(C(CC(=O)OC(=O)C(F)(F)F)c1ccccc1)CC(=O)N2Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
TP53 P04637 1/20 0.32
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7331728 0.92 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7327280 0.91 ITGB3 (0.32) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7328666 0.91 ITGB3 (0.39) BCHEACHEITGB3ITGA2BTP53
SCHEMBL7329197 0.90 ITGB3 (0.32) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7329789 0.89 RXRA (0.32) BCHEACHEITGB3ITGA2BTP53
SCHEMBL8842860 0.87 ITGB3 (0.33) ITGB3ITGA2BTP53
SCHEMBL7331803 0.85 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7331785 0.85 ITGB3 (0.32) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7323053 0.85 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7324693 0.84 ITGB3 (0.37) HDAC1HDAC6ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed