SCHEMBL29523967

SCHEMBL29523967

O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 3/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 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
SCHEMBL28888688 1.00 MAPT (0.56) MAPTTDP1LMNARECQLKDM4E
SCHEMBL25358 0.91 KDM4E (0.62) MAPTTDP1LMNARECQLKDM4E
SCHEMBL29402979 0.91 KDM4E (0.62) MAPTTDP1LMNARECQLKDM4E
Hydrogen Sulfide SCHEMBL21332206 0.89 KDM4E (0.60) MAPTTDP1LMNARECQLKDM4E
SCHEMBL21332207 0.87 KDM4E (0.58) MAPTTDP1LMNARECQLKDM4E
SCHEMBL22883115 0.87 MAPT (0.48) MAPTTDP1LMNARECQLKDM4E
SCHEMBL18078274 0.81 MAPT (0.54) MAPTTDP1LMNARECQLKDM4E
SCHEMBL12161313 0.81 MAPT (0.59) MAPTTDP1LMNARECQLKDM4E
SCHEMBL223594 0.81 MEN1 (0.59) MAPTTDP1LMNARECQLKMT2A
SCHEMBL19456875 0.81 KDM4E (0.55) MAPTTDP1LMNARECQLKDM4E

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
CN-114302744-A Peptide conjugates of microtubule targeting agents as therapeutic agents 赛博克萨3公司 2022-04-08 CN disclosed