SCHEMBL5031687

SCHEMBL5031687

CS(=O)(=O)Nc1ccccc1-c1cc2ccccc2nc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
MMP2 P08253 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KEAP1 Q14145 1/20 0.42
PIM1 P11309 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
PGAM1 P18669 1/20 0.41
PARP14 Q460N5 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
GLO1 Q04760 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4602438 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1PIM1
SCHEMBL8329240 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL2001891 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL21489525 0.71 GLO1 (0.59) MMP2ALDH1A1KDM4EKEAP1TP53
SCHEMBL15882980 0.70 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMEN1PIM1
SCHEMBL60874 0.69 ALDH1A1 (0.61) MCL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2040317 0.68 MCL1 (0.64) MCL1MMP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2329568 0.68 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EMEN1PIM1
SCHEMBL4533547 0.67 KDM1A (0.60) MCL1ALDH1A1KMT2AKEAP1SMN1; SMN2
SCHEMBL31645593 0.67 KDM1A (0.60) MCL1ALDH1A1KMT2AKEAP1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP claimed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 WO claimed