SCHEMBL8949033

SCHEMBL8949033

Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)NCCCCC(=O)O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.51
ITGA2B P08514 17/20 0.51
MAPK1 P28482 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8949063 0.97 ITGB3 (0.47) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8949239 0.93 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8948999 0.90 ITGB3 (0.41) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8949207 0.87 NR1H4 (0.41) ITGB3ITGA2BHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8949390 0.87 HDAC6 (0.41) ITGB3ITGA2BHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8949124 0.85 HDAC3 (0.39) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8949139 0.85 KDM5B (0.39) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8949188 0.85 ALDH1A1 (0.38) ITGB3ITGA2BHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8949257 0.84 HDAC3 (0.39) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8949398 0.83 ITGB3 (0.40) ITGB3ITGA2BPOLB

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-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed