SCHEMBL16831706

SCHEMBL16831706

CC(C(=O)O)c1ccc2c(c1)nnn2C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.60
KEAP1 Q14145 8/20 0.60
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NFE2L2 Q16236 5/20 0.49
HPGD P15428 6/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL2384957 0.82 KEAP1 (0.55) HCAR3KEAP1RAB9AMEN1KMT2A
SCHEMBL12376528 0.82 KEAP1 (0.52) HCAR3KEAP1RAB9AMEN1KMT2A
SCHEMBL9524664 0.77 KEAP1 (0.52) HCAR3KEAP1RAB9AMEN1KMT2A
SCHEMBL599138 0.76 HCAR3 (1.00) HCAR3RAB9AMEN1KMT2AHPGD
SCHEMBL19236877 0.74 KEAP1 (0.49) HCAR3KEAP1NFE2L2HPGDPOLB
SCHEMBL9524820 0.74 KEAP1 (0.52) HCAR3KEAP1RAB9AMEN1KMT2A
SCHEMBL12369468 0.72 HCAR3 (0.76) HCAR3RAB9AMEN1KMT2AHPGD
SCHEMBL21624765 0.72 HCAR3 (0.60) HCAR3KEAP1RAB9AMEN1KMT2A
SCHEMBL3938770 0.72 HCAR3 (0.60) HCAR3KEAP1RAB9AMEN1KMT2A
SCHEMBL2387217 0.72 KEAP1 (0.47) HCAR3KEAP1RAB9ANFE2L2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed