SCHEMBL8948984

SCHEMBL8948984

COC(=O)CC1CCN(C(=O)c2cnc(-c3ccc(C#N)cc3)[nH]c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 17/20 0.42
EGLN1 Q9GZT9 2/20 0.42
KDM1A O60341 1/20 0.41

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 SCHEMBL8949186 0.85 JAK2 (0.36)
Hydrochloric Acid SCHEMBL8949011 0.84 ITGB3 (0.40)
SCHEMBL9264885 0.82 EGLN1 (0.35) EGLN1KDM1A
SCHEMBL8949110 0.80 FASN (0.41) FASNEGLN1KDM1A
SCHEMBL8949062 0.80 CCNK (0.47) FASNEGLN1
SCHEMBL8407569 0.78 CCNK (0.51) FASNKDM1A
SCHEMBL8949359 0.73 ITGB3 (0.48)
SCHEMBL8560134 0.72 KDM1A (0.49) EGLN1KDM1A
SCHEMBL8718956 0.72 MLNR (0.48) KDM1A
SCHEMBL7674090 0.71 RAB9A (0.53)

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