SCHEMBL28033810

SCHEMBL28033810

CCC(OC(N)=O)(C(N)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2C19 P33261 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ KIF11 P52732 2/20 0.39
▸ KCNN4 O15554 6/20 0.39
▸ CHRM2 P08172 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL6529359 0.84 MAPT (0.48) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL5617129 0.84 KIF11 (0.44) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL4334002 0.83 HTT (0.38) MAPTKMT2ACYP2C19HTTCYP2D6
SCHEMBL20293767 0.83 MAPT (0.47) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL4795423 0.82 GABRA1 (0.36) MAPTKMT2ACYP2C19CYP2D6CYP1A2
Piperazine SCHEMBL10994605 0.81 KMT2A (0.39) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL7507157 0.80 MAPT (0.44) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL5365607 0.79 MAPT (0.46) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL2283147 0.77 MAPT (0.48) MAPTKMT2ACYP2C19HIF1AHTT
SCHEMBL28043959 0.77 CYP1A2 (0.44) MAPTKMT2ACYP2C19HIF1AHTT

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-104981458-A Inhibitors of histone demethylases EPITHERAPEUTICS APS 2015-10-14 — — CN disclosed
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