SCHEMBL8949233

SCHEMBL8949233

Cn1nc(-c2ccc(C(=N)N)cc2)cc(C(=O)NCCN(CC(=O)O)Cc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
F10 P00742 2/20 0.38
PHGDH O43175 1/20 0.38
KLKB1 P03952 2/20 0.38
APP P05067 3/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRK1 P41145 2/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TPSAB1 Q15661 1/20 0.35

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
SCHEMBL8949379 0.84 HPGD (0.38) HPGDF10PHGDHKLKB1ITGB3
SCHEMBL8949239 0.84 ITGB3 (0.45) F10ITGB3ITGA2B
SCHEMBL8949221 0.83 HPGD (0.37) HPGDF10PHGDHITGB3ITGA2B
SCHEMBL8949063 0.80 ITGB3 (0.47) F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8948978 0.80 F10 (0.43) HPGDF10PHGDHALDH1A1MEN1
SCHEMBL8949033 0.80 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8949128 0.79 PHGDH (0.35) HPGDPHGDHKLKB1ITGB3ITGA2B
SCHEMBL8949188 0.78 ALDH1A1 (0.38) HPGDF10PHGDHALDH1A1ITGB3
SCHEMBL8949139 0.77 KDM5B (0.39) HPGDF10PHGDHITGB3ITGA2B
SCHEMBL8949398 0.77 ITGB3 (0.40) PHGDHKLKB1ITGB3ITGA2BF2

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