SCHEMBL25870833

SCHEMBL25870833

CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)[se]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
PPARG P37231 1/20 0.39
CASP7 P55210 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL17765782 0.81 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL17765779 0.81 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870838 0.81 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL17790360 0.80 PPARG (0.37) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870832 0.77 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870839 0.77 KDM4E (0.33) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870782 0.73 MAPT (0.36) MEN1MAPTRECQLKMT2ATDP1
SCHEMBL25870834 0.71 KDM4E (0.31) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870715 0.71 MAPT (0.34) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL25870678 0.71 MAPT (0.40) KDM4EMEN1MAPTRECQLKMT2A

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
US-11711930-B2 2023-07-25 US disclosed