SCHEMBL25872014

SCHEMBL25872014

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc3C4(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
PDK2 Q15119 7/20 0.32
PLA2G2A P14555 3/20 0.32
PLA2G4A P47712 3/20 0.32
PLA2G10 O15496 1/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASP3 P42574 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
SCHEMBL17252687 0.97 PDK2 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL24840723 0.96 PLA2G2A (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25871973 0.96 PDK2 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25871977 0.96 PLA2G2A (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19803096 0.96 PLA2G2A (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19802174 0.96 PLA2G2A (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL22876377 0.95 PDK2 (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL22876187 0.95 PDK2 (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL26287349 0.95 PDK2 (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL25730262 0.95 PDK2 (0.34) MEN1ALDH1A1MAPTHPGDKMT2A

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-2023139034-A1 ORGANIC ELECTRIC ELEMENT WITH MIXED HOST SYSTEM MERCK PATENT GMBH (DE) 2023-07-27 WO disclosed