SCHEMBL22058735

SCHEMBL22058735

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)cc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK1 Q13464 1/20 0.31
CYP1A2 P05177 1/20 0.31
PDK2 Q15119 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL15501881 0.96 MAPT (0.34) PIM3ALOX5MEN1ALDH1A1MAPT
SCHEMBL17693930 0.94 PIM3 (0.37) PIM3MEN1ALDH1A1MAPTHPGD
SCHEMBL15501378 0.94 PIM3 (0.37) PIM3MEN1ALDH1A1MAPTHPGD
SCHEMBL21707326 0.93 PIM3 (0.34) PIM3ALOX5MEN1ALDH1A1MAPT
SCHEMBL21707342 0.92 GPR3 (0.35) PIM3ALOX5MEN1ALDH1A1MAPT
SCHEMBL23079184 0.92 PIM3 (0.34) PIM3MEN1ALDH1A1MAPTHPGD
SCHEMBL24169851 0.92 PIM3 (0.34) PIM3MEN1ALDH1A1MAPTHPGD
SCHEMBL24169540 0.92 PIM3 (0.34) PIM3MEN1ALDH1A1MAPTHPGD
SCHEMBL15501683 0.92 PIM3 (0.34) PIM3MEN1ALDH1A1MAPTHPGD
SCHEMBL22986980 0.91 MAPT (0.34) PIM3ALOX5MEN1ALDH1A1MAPT

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-2020111585-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-06-04 WO disclosed