SCHEMBL28236381

SCHEMBL28236381

Nc1cc(N)cc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
MAPT P10636 7/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.56
USP2 O75604 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TP53 P04637 3/20 0.43
PRMT1 Q99873 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SCD O00767 2/20 0.40
POLB P06746 5/20 0.40

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
SCHEMBL28236382 0.89 HDAC6 (0.71) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL318730 0.87 HDAC6 (0.67) HDAC6SCDNPBWR1ENPP2CHEK2
SCHEMBL828238 0.85 HDAC6 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL7759314 0.83 HDAC6 (0.66) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
Ensulizole SCHEMBL29405567 0.83 HDAC6 (0.79) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
Ensulizole SCHEMBL16277 0.83 HDAC6 (0.79) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
Ensulizole SCHEMBL4619449 0.83 HDAC6 (0.79) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
Ensulizole SCHEMBL1276069 0.82 HDAC6 (0.77) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
Ensulizole SCHEMBL3173650 0.82 HDAC6 (0.77) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
Ensulizole SCHEMBL2142368 0.82 HDAC6 (0.77) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10

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-108346766-A A kind of heat-staple lithium ion battery separator and preparation method thereof 长沙新材料产业研究院有限公司 2018-07-31 CN claimed