SCHEMBL9078483

SCHEMBL9078483

COc1ccccc1C(=O)C1CCCN(CC(=O)c2ccc(NS(C)(=O)=O)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.59
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
GRIN2B Q13224 1/20 0.47
SLC6A1 P30531 2/20 0.46

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
Hydrochloric Acid SCHEMBL9077304 0.99 KDM2B (0.58) KDM2BALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL9077704 0.83 MEN1 (0.57) KDM2BALDH1A1MEN1KMT2AKDM4E
SCHEMBL9076966 0.81 KDM2B (0.59) KDM2BALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL9077039 0.81 HTR2A (0.53) MAPTKDM4EPOLBGRIN2B
Hydrochloric Acid SCHEMBL9078824 0.80 HTR2A (0.52) MAPTKDM4EPOLBGRIN2B
SCHEMBL9076760 0.80 KMT2A (0.50) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL9076918 0.79 MEN1 (0.47) KDM2BALDH1A1MEN1KMT2AGRIN2B
SCHEMBL9079388 0.78 ALDH1A1 (0.47) KDM2BALDH1A1MEN1KMT2AKDM4E
SCHEMBL17919752 0.75 KDM2B (1.00) KDM2BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29576567 0.75 KDM2B (1.00) KDM2BALDH1A1L3MBTL1MEN1KMT2A

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
EP-0532629-B1 1-PIPERIDINYL ALKANOYLARYLSULFONAMIDE DERIVATIVES MERRELL PHARMA INC (US) 1996-11-06 EP claimed