SCHEMBL8949254

SCHEMBL8949254

N=C(N)c1ccc(-c2cnc(C(=O)N3CCN(CC(=O)O)C(O)C3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.39
ITGA2B P08514 17/20 0.39
ALOX15 P16050 1/20 0.36
SLC6A7 Q99884 1/20 0.34

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
SCHEMBL8949272 0.83 ITGB3 (0.48) ITGB3ITGA2BALOX15
SCHEMBL8949226 0.78 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL8949143 0.78 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8949209 0.77 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8949046 0.77 ITGB3 (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949247 0.72 KDM1A (0.44) ITGB3ITGA2B
SCHEMBL9278118 0.71 ITGB3 (0.37) ITGB3ITGA2BSLC6A7
SCHEMBL8949205 0.71 SMN1; SMN2 (0.40) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8948998 0.70 ALDH1A1 (0.40) ITGB3ITGA2B
SCHEMBL9189037 0.69 ITGB3 (0.54) ITGB3ITGA2BALOX15SLC6A7

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