SCHEMBL28294004

SCHEMBL28294004

O=[N+]([O-])c1ccc(C[S+]([O-])c2ccc3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
MMP9 P14780 2/20 0.41

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
SCHEMBL8561002 0.79 RAB9A (0.51) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL31344512 0.73 POLB (0.52) MAPTRAB9ASMN1; SMN2NPC1HTT
SCHEMBL29980877 0.73 NPC1 (0.38) MAPTRAB9ASMN1; SMN2NPC1HTT
SCHEMBL20338487 0.73 NPC1 (0.38) MAPTRAB9ASMN1; SMN2NPC1HTT
SCHEMBL20338490 0.72 CHRNA7 (0.39) ALDH1A1KDM4ELMNAPOLBCYP1A2
SCHEMBL19385830 0.72 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL19385828 0.72 ALDH1A1 (0.56) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29980210 0.71 MAPT (0.57) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL20338493 0.71 SMN1; SMN2 (0.39) MAPTRAB9ASMN1; SMN2NPC1HTT
SCHEMBL19810722 0.71 MAPT (0.57) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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
CN-109715159-A Anticancer medicine composition 国立癌症中心 2019-05-03 CN claimed
CN-109715607-A Compounds that inhibit the formation of the C-MYC/MAX/DNA complex 国立癌症中心 2019-05-03 CN claimed