SCHEMBL25870834

SCHEMBL25870834

CC1=C(C#N)C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N(c2ccccc2)c2cccc3ccccc23)[se]1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
BLM P54132 2/20 0.31
KMT2A Q03164 2/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
MCL1 Q07820 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL25870837 0.93 ALDH1A1 (0.33) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL17765779 0.90 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL17765782 0.90 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870838 0.83 KDM4E (0.34) KDM4EMEN1MAPTRECQLBLM
SCHEMBL17790366 0.82 MAPT (0.31) KDM4EMEN1MAPTRECQLBLM
SCHEMBL25870674 0.79 KMT2A (0.38) KDM4EMEN1MAPTKMT2AUSP2
SCHEMBL25870839 0.78 KDM4E (0.33) KDM4EMEN1MAPTRECQLBLM
SCHEMBL28932832 0.76 ALDH1A1 (0.31) KDM4EMAPTALDH1A1GAA
SCHEMBL28705799 0.76 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL18863392 0.76 MAPT (0.33) KDM4EMEN1MAPTKMT2AALDH1A1

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