SCHEMBL5230482

SCHEMBL5230482

COCCNc1c([N+](=O)[O-])csc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 9/20 0.44
MAPT P10636 5/20 0.44
HCAR3 P49019 1/20 0.43
RAB9A P51151 2/20 0.40
PTGER4 P35408 1/20 0.40
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 3/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
FBP1 P09467 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5230062 0.72 LMNA (0.42) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL5230153 0.72 LMNA (0.51) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL27328121 0.70 TDP1 (0.38) ALDH1A1MAPTRAB9AKMT2AGAA
SCHEMBL9498140 0.69 ALDH1A1 (0.65) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL30568957 0.68 LMNA (0.52) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL8097857 0.68 LMNA (0.52) LMNAALDH1A1MAPTHCAR3RAB9A
Hydrochloric Acid SCHEMBL28301069 0.65 GPR35 (0.37) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL11846149 0.65 HCAR3 (0.58) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL31700569 0.65 LMNA (0.52) LMNAALDH1A1MAPTHCAR3RAB9A
SCHEMBL2498853 0.65 ALDH1A1 (0.53) LMNAALDH1A1MAPTHCAR3RAB9A

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-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed