SCHEMBL28210705

SCHEMBL28210705

CCC(CC)Cc1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
ACHE P22303 1/20 0.38
CASP1 P29466 2/20 0.35
MAPT P10636 6/20 0.34
POLB P06746 3/20 0.34
USP2 O75604 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 7/20 0.34
GAA P10253 6/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL28774150 0.86 ALDH1A1 (0.40) PRKCIACHECASP1MAPTPOLB
SCHEMBL6678293 0.81 PRKCI (0.41) PRKCIACHECASP1MAPTPOLB
SCHEMBL28097911 0.81 PRKCI (0.37) PRKCIACHECASP1MAPTPOLB
SCHEMBL2339661 0.79 MAPT (0.41) PRKCIACHECASP1MAPTTDP1
SCHEMBL30227313 0.79 MAPT (0.41) PRKCIACHECASP1MAPTTDP1
SCHEMBL28248000 0.79 CSNK1E (0.38) PRKCIACHECASP1MAPTPOLB
SCHEMBL21753786 0.77 PRKCI (0.34) PRKCIACHECASP1MAPTPOLB
SCHEMBL30227490 0.76 ALDH1A1 (0.50) PRKCIACHECASP1MAPTPOLB
SCHEMBL94119 0.76 ALDH1A1 (0.50) PRKCIACHECASP1MAPTPOLB
SCHEMBL3839781 0.76 PRKCI (0.39) PRKCIACHECASP1MAPTPOLB

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-103735554-B Inhibitors of protein aggregation 维斯塔实验室有限公司 2018-03-20 CN disclosed