SCHEMBL8949262

SCHEMBL8949262

COC(=O)C1CCC(NC(=O)c2cc(-c3ccc(C#N)cc3)nn(C)c2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 8/20 0.45
CFTR P13569 1/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
CHEK1 O14757 1/20 0.40
KLK7 P49862 1/20 0.40
PHGDH O43175 1/20 0.39
KDM1A O60341 1/20 0.39
TTK P33981 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL8949256 1.00 EGLN1 (0.45) EGLN1CFTRCNR2CNR1CHEK1
SCHEMBL8949141 1.00 EGLN1 (0.45) EGLN1CFTRCNR2CNR1CHEK1
SCHEMBL8949269 0.90 EGLN1 (0.47) EGLN1CNR2CNR1KLK7PHGDH
SCHEMBL8949327 0.84 CNR2 (0.60) CNR2CNR1KLK7MEN1RAB9A
SCHEMBL8949131 0.84 CFTR (0.42) CFTRCNR2CNR1KLK7
Hydrochloric Acid SCHEMBL8949162 0.84 CNR2 (0.46) CFTRCNR2CNR1KLK7MEN1
SCHEMBL8949034 0.84 CFTR (0.42) CFTRCNR2CNR1KLK7
SCHEMBL8949258 0.83 CNR2 (0.41) CFTRCNR2CNR1KLK7MEN1
SCHEMBL8949056 0.83 CNR2 (0.41) CFTRCNR2CNR1KLK7MEN1
SCHEMBL9260471 0.81 CNR2 (0.41) EGLN1CFTRCNR2CNR1TTK

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 2 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