SCHEMBL4674055

SCHEMBL4674055

Fc1ccc(C2=CCN[C@@H](c3ccc(F)cc3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
PRCP P42785 1/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
KDM1A O60341 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4789908 0.79 PTGS1 (0.34) PRCPPTGS1PTGS2
SCHEMBL3905276 0.77 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL15140545 0.73 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL4676585 0.71 CDK9 (0.33) TDP1
Trifluoroacetic Acid SCHEMBL16422651 0.68 KDM1A (0.43) KDM1A
SCHEMBL6650636 0.67 RIPK3 (0.34)
SCHEMBL24154702 0.67 CHRNB2 (0.51)
SCHEMBL24155127 0.67 CHRNB2 (0.51)
SCHEMBL5280355 0.67 CHRNB2 (0.51) CA1PRCPKDM1ATDP1ATM
SCHEMBL24366501 0.67 PRCP (0.42) CA1PRCPKDM1ATDP1

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
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed