SCHEMBL29218616

SCHEMBL29218616

C=Cc1ccc(NC2CCC(OC(N)=O)CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.35
▸ SYK P43405 6/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL29218644 0.85 GFER (0.45) NPC1RAB9AGFERUSP2ALDH1A1
SCHEMBL29218626 0.81 NPC1 (0.34) NPY5RMEN1NPC1RAB9AKMT2A
SCHEMBL29218634 0.81 MAPT (0.39) SYKMEN1NPC1RAB9AKMT2A
SCHEMBL25042392 0.77 KDM1A (0.45) SYKNPC1RAB9AALDH1A1MAPT
SCHEMBL29218593 0.76 KCNQ3 (0.47) MEN1NPC1RAB9AKMT2AROCK2
SCHEMBL29218774 0.75 MAPT (0.35) NPY5RSYKMEN1NPC1RAB9A
SCHEMBL29218716 0.74 ALDH1A1 (0.43) NPC1RAB9AGFERALDH1A1MAPT
SCHEMBL29218753 0.74 HTT (0.45) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL28487447 0.72 EPHX2 (0.45) MEN1NPC1RAB9AKMT2AROCK2
SCHEMBL29218851 0.72 POLB (0.46) SYKNPC1RAB9AALDH1A1LMNA

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
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
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