SCHEMBL4557098

SCHEMBL4557098

CC(C)(NCc1ccc(OS(=O)(=O)c2cccc(Br)c2)cc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MMP13 P45452 5/20 0.36
MMP1 P03956 4/20 0.36
MMP2 P08253 3/20 0.36
ATM Q13315 1/20 0.36
MMP9 P14780 4/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM4A O75164 1/20 0.35
PGR P06401 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL3967573 0.79 PARP15 (0.60) MMP2MMP9PARP15PARP14PARP10
SCHEMBL28279914 0.70 PGR (0.54) CA1CA2CA9MMP2ATM
SCHEMBL919800 0.69 F2 (0.48) MMP13MMP1MMP2F2PPARG
SCHEMBL918991 0.68 MAPK14 (0.50) CA1CA2CA9MMP13MMP1
SCHEMBL3967655 0.68 FFAR1 (0.59) MMP2MMP9PARP15PARP14PARP10
SCHEMBL2850028 0.68 RIPK1 (0.49) CA1KDM4EMEN1ALDH1A1MAPT
SCHEMBL3969644 0.68 MAOB (0.57)
SCHEMBL1067948 0.68 MAOB (0.65) PARP10PPARA
SCHEMBL919807 0.67 CYP2C19 (0.47) ATMPPARAMEN1ALDH1A1KMT2A
SCHEMBL919163 0.67 SCN9A (0.47) MMP13MMP1MMP2MMP9PARP10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613296-B1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEWRON PHARM SPA (IT) 2009-07-01 EP disclosed