SCHEMBL20425829

SCHEMBL20425829

CCn1nnc2c(C)c(B3OC(C)(C)C(C)(C)O3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.41
SLC9A1 P19634 1/20 0.36
UCHL1 P09936 1/20 0.33
HCAR3 P49019 1/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
JAK2 O60674 2/20 0.31
BTK Q06187 2/20 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
SCHEMBL29734756 0.82 JAK2 (0.33) SLC9A1KEAP1JAK2BTK
SCHEMBL26921408 0.82 JAK2 (0.33) SLC9A1KEAP1JAK2BTK
SCHEMBL21713611 0.76 HCAR3 (0.33) HCAR3KEAP1NFE2L2
SCHEMBL20439751 0.73 GRM2 (0.53) GRM2SLC9A1HCAR3KEAP1NFE2L2
SCHEMBL29442748 0.70 GRM2 (0.63) GRM2SLC9A1HCAR3
SCHEMBL16831208 0.70 GRM2 (0.63) GRM2SLC9A1HCAR3
SCHEMBL12703333 0.70 LPL (0.42) LPLLIPGJAK2BTK
SCHEMBL20269082 0.70 GRM2 (0.46) GRM2SLC9A1HCAR3KEAP1NFE2L2
SCHEMBL26921750 0.69 JAK2 (0.33) JAK2BTK
SCHEMBL29982736 0.68 GRM2 (0.47) GRM2SLC9A1HCAR3KEAP1NFE2L2

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