SCHEMBL20439751

SCHEMBL20439751

CCn1nnc2c(C)c(C)ccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.53
SLC9A1 P19634 1/20 0.46
HCAR3 P49019 1/20 0.41
NFE2L2 Q16236 13/20 0.39
KEAP1 Q14145 8/20 0.39
POLB P06746 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
SCHEMBL28548296 0.85 GRM2 (0.38) GRM2SLC9A1NFE2L2KEAP1
SCHEMBL29442748 0.82 GRM2 (0.63) GRM2SLC9A1HCAR3
SCHEMBL16831208 0.82 GRM2 (0.63) GRM2SLC9A1HCAR3
SCHEMBL20425557 0.80 GRM2 (0.47) GRM2SLC9A1HCAR3NFE2L2KEAP1
SCHEMBL29982736 0.80 GRM2 (0.47) GRM2SLC9A1HCAR3NFE2L2KEAP1
SCHEMBL20269082 0.78 GRM2 (0.46) GRM2SLC9A1HCAR3NFE2L2KEAP1
SCHEMBL17828279 0.78 GRM2 (0.67) GRM2SLC9A1
SCHEMBL22084730 0.75 KEAP1 (0.41) SLC9A1HCAR3NFE2L2KEAP1POLB
SCHEMBL18323587 0.73 GRM2 (0.43) GRM2SLC9A1HCAR3POLB
SCHEMBL22084732 0.73 KDM4E (0.32)

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
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed