SCHEMBL24005491

SCHEMBL24005491

CC(C)c1ccccc1C1CN(S(N)(=O)=O)CCN1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTR7 P34969 3/20 0.34
TMEM97 Q5BJF2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.33
CASR P41180 1/20 0.32
HSP90AA1 P07900 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL25480485 0.89 L3MBTL1 (0.38) POLBL3MBTL1CA1CA2CA9
SCHEMBL25478800 0.87 USP1 (0.35) POLBL3MBTL1HTR7TMEM97NPSR1
SCHEMBL25480486 0.85 CA12 (0.34) POLBL3MBTL1CA12CA1CA2
SCHEMBL25613559 0.83 CA12 (0.33) POLBL3MBTL1CA12CA1CA2
SCHEMBL25478797 0.83 HTR7 (0.35) POLBL3MBTL1HTR7TMEM97NPSR1
SCHEMBL24005860 0.80 HTR2A (0.42) HTR7HSP90AA1LMNAHTR1A
SCHEMBL25480477 0.77 HRH3 (0.33)
SCHEMBL24005504 0.76 P2RX7 (0.41) POLBALOX15HSP90AA1LMNA
SCHEMBL25480336 0.76 SIGMAR1 (0.36) HTR7ALOX15
SCHEMBL24005472 0.75 HTR7 (0.36) HTR7TMEM97

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-2021223736-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-11 WO disclosed