SCHEMBL12526560

SCHEMBL12526560

OCCN(CCO)c1ncc(-c2cccc(CO)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.36
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ AOC3 Q16853 4/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ TYK2 P29597 1/20 0.30

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
SCHEMBL15000542 0.86 NR4A2 (0.35) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL12526579 0.83 KCNH2 (0.42) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL15000467 0.81 NR4A2 (0.35) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL12526552 0.80 MYC (0.35) NR4A2LRRK2AOC3HIF1APTGDR2
SCHEMBL12526321 0.78 NR4A2 (0.48) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL12526543 0.77 DGAT1 (0.41) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL12525403 0.74 SCN9A (0.42) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL28210685 0.74 NR4A2 (0.44) NR4A2LRRK2PDCD1CD274ALOX5AP
SCHEMBL12525396 0.73 AOC3 (0.40) NR4A2LRRK2PDCD1CD274AOC3
SCHEMBL9548114 0.71 PDCD1 (0.60) NR4A2PDCD1CD274KMT2A

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-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — WO disclosed
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