SCHEMBL8949221

SCHEMBL8949221

Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)NCCN(CC(=O)O)S(C)(=O)=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
PHGDH O43175 5/20 0.37
ITGB3 P05106 5/20 0.33
ITGA2B P08514 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F10 P00742 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
Hydrochloric Acid SCHEMBL9571664 0.91 HPGD (0.36) HPGDPHGDHITGB3ITGA2BMEN1
SCHEMBL8949379 0.86 HPGD (0.38) HPGDPHGDHITGB3ITGA2BMEN1
SCHEMBL8949239 0.83 ITGB3 (0.45) ITGB3ITGA2BF10GCGR
SCHEMBL8949233 0.83 HPGD (0.40) HPGDPHGDHITGB3ITGA2BMEN1
SCHEMBL8949063 0.82 ITGB3 (0.47) ITGB3ITGA2BF10HDAC3HDAC4
SCHEMBL8949033 0.81 ITGB3 (0.51) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8949128 0.80 PHGDH (0.35) HPGDPHGDHITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949390 0.79 HDAC6 (0.41) HPGDPHGDHITGB3ITGA2BMEN1
SCHEMBL8949188 0.79 ALDH1A1 (0.38) HPGDPHGDHITGB3ITGA2BMEN1
SCHEMBL8949398 0.78 ITGB3 (0.40) PHGDHITGB3ITGA2BGCGR

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