SCHEMBL29218774

SCHEMBL29218774

CCc1c(C)cc(NC2CCC(OC(N)=O)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ PABPC1 P11940 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ EML4 Q9HC35 2/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL29218626 0.88 NPC1 (0.34) MAPTALDH1A1USP2KDM4ELMNA
SCHEMBL29218634 0.85 MAPT (0.39) MAPTALDH1A1USP2KDM4ELMNA
SCHEMBL29218644 0.81 GFER (0.45) MAPTALDH1A1USP2KDM4ELMNA
SCHEMBL31205945 0.79 HPGD (0.39) MAPTALDH1A1USP2HPGDMEN1
SCHEMBL25039647 0.77 SMYD3 (0.37) PABPC1FLT3
SCHEMBL29218718 0.75 TAS1R3 (0.37) ALDH1A1LMNANPSR1HTTGAA
SCHEMBL29218616 0.75 NPY5R (0.35) MAPTALDH1A1USP2KDM4ELMNA
SCHEMBL29218810 0.74 SYK (0.43) MAPTSYKNPY5RFLT3
SCHEMBL29218716 0.72 ALDH1A1 (0.43) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL28487447 0.71 EPHX2 (0.45) MEN1NPC1RAB9AKMT2A

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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