SCHEMBL30558354

SCHEMBL30558354

NCC1=CCCc2cc(S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PNMT P11086 1/20 0.45
LOX P28300 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
MAOA P21397 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL14350330 1.00 HTR6 (0.48) HTR6HTR2CHTR2BPNMTLOX
SCHEMBL17361961 0.88 GAA (0.43) HTR6LOXALDH1A1POLBMAPT
SCHEMBL17362253 0.87 HTR6 (0.40) HTR6LOX
SCHEMBL17361916 0.87 HTR6 (0.53) HTR6HTR2CHTR2B
Hydrochloric Acid SCHEMBL30558349 0.86 GAA (0.42) HTR6LOXALDH1A1MAPTLOXL2
Hydrochloric Acid SCHEMBL30558460 0.86 HTR6 (0.39) HTR6LOX
Hydrochloric Acid SCHEMBL30558373 0.86 HTR6 (0.52) HTR6HTR2CHTR2B
SCHEMBL19296352 0.80 HTR2C (0.49) HTR6HTR2CHTR2BPNMTALDH1A1
SCHEMBL27719897 0.78 HTR2C (0.47) HTR6HTR2CHTR2BPNMTALDH1A1
SCHEMBL314648 0.77 HTR2C (0.46) HTR6HTR2CHTR2BPNMTALDH1A1

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
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed