SCHEMBL21753786

SCHEMBL21753786

CCCC(CC)CCc1cc(N)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
CASP1 P29466 2/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SKP2 Q13309 1/20 0.31

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
SCHEMBL28097911 0.91 PRKCI (0.37) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL17785525 0.78 PRKCI (0.39) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL146162 0.78 PRKCI (0.42) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL30087007 0.78 PRKCI (0.42) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL28210705 0.77 PRKCI (0.39) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL7196628 0.77 TDP1 (0.40) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL29313106 0.76 PRKCI (0.32) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL28774150 0.75 ALDH1A1 (0.40) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL22471664 0.75 SKP2 (0.37) PRKCICASP1ACHEKDM4EMEN1
SCHEMBL3958025 0.75 SKP2 (0.37) PRKCICASP1ACHEKDM4EMEN1

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-2020039788-A1 RUBBER COMPOSITION AND TIRE 三菱瓦斯化学株式会社 2020-02-27 WO disclosed