SCHEMBL8554394

SCHEMBL8554394

Cc1nn(-c2ccccc2)c(N(CCN2CCOCC2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 4/20 0.39
HPGD P15428 1/20 0.38
PTGS2 P35354 2/20 0.38
ABCB1 P08183 3/20 0.38
KDM5B Q9UGL1 1/20 0.38
PTGS1 P23219 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8555849 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL8556539 0.84 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL8553385 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL8551978 0.81 KDM4E (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL8555334 0.80 MAPT (0.46) ALDH1A1MAPTKMT2AKDM4EPTGS2
SCHEMBL8553095 0.79 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL1984012 0.71 NTRK1 (0.48) ALDH1A1MAPTSMN1; SMN2PTGS2PTGS1
SCHEMBL8551939 0.67 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL8556278 0.67 NTRK1 (0.43) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL8553364 0.65 PTGES (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2POLB

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed