SCHEMBL25480486

SCHEMBL25480486

CC(C)c1ccccc1C1CN(S(N)(=O)=O)CCN1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
CASR P41180 1/20 0.32
HTR7 P34969 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP8 Q6V1X1 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
SCHEMBL24005486 0.90 ALDH1A1 (0.37) CA1CA2CA9NPSR1POLB
SCHEMBL25478795 0.86 NPSR1 (0.34) NPSR1ALOX15POLBHTR7TMEM97
SCHEMBL24005491 0.85 POLB (0.35) CA12CA1CA2CA9NPSR1
SCHEMBL25480489 0.83 LPAR1 (0.34) NPSR1POLBHTR7TMEM97L3MBTL1
SCHEMBL25478605 0.79 HTR2A (0.40) HTR7KDM4ETSHRMEN1ALDH1A1
SCHEMBL25478774 0.78 HRH3 (0.33) GABRA1GABRB2
SCHEMBL25492868 0.77
SCHEMBL25478787 0.76 KMT2A (0.38) ALOX15POLBMEN1ALDH1A1KMT2A
SCHEMBL24005863 0.76 KMT2A (0.35) HTR7TSHRMEN1ALDH1A1KMT2A
SCHEMBL25480485 0.75 L3MBTL1 (0.38) CA1CA2CA9NPSR1POLB

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-2023088167-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-25 WO disclosed