SCHEMBL24196865

SCHEMBL24196865

CCCN[S+]([O-])c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
KMT2A Q03164 1/20 0.35
KCNN4 O15554 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
TP53 P04637 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
APP P05067 1/20 0.31
IDO1 P14902 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ATM Q13315 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL20972406 0.88 HTT (0.38) SIGMAR1HTTL3MBTL1GAAMAPT
SCHEMBL21386084 0.83 KCNN4 (0.40) SIGMAR1KCNN4LMNATP53CES2
SCHEMBL24196886 0.82 MAPT (0.35) KMT2ALMNAL3MBTL1MAPTCA12
SCHEMBL24196887 0.80 CA2 (0.34) KMT2ALMNAL3MBTL1GAAMAPT
SCHEMBL1846699 0.79 ALDH1A1 (0.32) MAPT
SCHEMBL24196884 0.78 HDAC3 (0.41) KMT2ALMNAL3MBTL1GAAALOX12
SCHEMBL24196900 0.77 HDAC1 (0.37) KMT2ALMNAHTTL3MBTL1MAPT
SCHEMBL24196866 0.76 MEN1 (0.43) KMT2ALMNAHTTTAAR1
SCHEMBL10475185 0.75 TSHR (0.38) KCNN4LMNAL3MBTL1MAPTALOX12
SCHEMBL8090427 0.75 TSHR (0.38) KCNN4LMNAL3MBTL1MAPTALOX12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed
CN-103183624-B Catalyst used for olefine polymerization or copolymerization and preparation method thereof 中国科学院上海有机化学研究所 2017-04-19 CN disclosed
CN-103183624-A Catalyst used for olefine polymerization or copolymerization and preparation method thereof SHANGHAI INST ORGANIC CHEM 2013-07-03 CN disclosed