SCHEMBL20347759

SCHEMBL20347759

COc1ccc(CN2CCC(=O)C(c3ccccc3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
SIGMAR1 Q99720 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GSK3B P49841 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CXCR3 P49682 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CYP19A1 P11511 1/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL20347981 0.87 DDB1 (0.54) GAAMEN1KMT2A
SCHEMBL16008041 0.77 GAA (0.54) GAASIGMAR1MMP1MMP13
SCHEMBL20347991 0.77 LMNA (0.44) SIGMAR1OPRM1
SCHEMBL4719277 0.74 DRD4 (0.46) GAASIGMAR1MEN1KMT2AGSK3B
SCHEMBL11432095 0.73 GAA (0.68) GAASIGMAR1MEN1KMT2AGSK3B
SCHEMBL3553167 0.73 SIGMAR1 (0.46) GAASIGMAR1MEN1KMT2AOPRM1
SCHEMBL20133631 0.72 SIGMAR1 (0.49) GAASIGMAR1MEN1KMT2A
SCHEMBL173296 0.72 GAA (0.51) GAASIGMAR1MEN1KMT2AGSK3B
SCHEMBL28949764 0.72 HPGD (0.74) MEN1KMT2AGSK3B
SCHEMBL2874555 0.72 GAA (0.61) GAASIGMAR1MEN1KMT2AGSK3B

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-3875450-A1 NRF2 ACTIVATOR Biogen MA Inc. (US) 2021-09-08 EP disclosed
EP-3562816-B1 NRF2 ACTIVATOR BIOGEN MA INC (US) 2021-01-20 EP disclosed
WO-2018125880-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-07-05 WO disclosed