SCHEMBL8949272

SCHEMBL8949272

N=C(N)c1ccc(-c2cnc(C(=O)N3CCN(CC(=O)O)CC3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 16/20 0.48
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE4B Q07343 1/20 0.39

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
SCHEMBL8949046 0.89 ITGB3 (0.50) ITGB3ITGA2BKDM4EALDH1A1MAPT
SCHEMBL9189037 0.86 ITGB3 (0.54) ITGB3ITGA2BALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8949247 0.86 KDM1A (0.44) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8519571 0.85 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL8949226 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL8949254 0.83 ITGB3 (0.39) ITGB3ITGA2BALOX15
SCHEMBL8949209 0.82 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7381654 0.80 UBE2T (0.51) ITGB3ITGA2BALOX15
Hydrochloric Acid SCHEMBL8949404 0.80 KDM1A (0.43) ITGB3ITGA2B
SCHEMBL9278118 0.78 ITGB3 (0.37) ITGB3ITGA2BALDH1A1TSHRMAPK1

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