SCHEMBL14212419

SCHEMBL14212419

CC(=O)Nc1ccc(S(=O)(=O)O)c(N=N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
ENPP2 Q13822 1/20 0.52
CDK1 P06493 1/20 0.48
AMY1A P0DUB6 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
TP53 P04637 1/20 0.41
PRMT3 O60678 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
SCHEMBL14181388 0.84 ENPP2 (0.51) ALDH1A1ENPP2CDK1AMY1ALMNA
SCHEMBL14502114 0.81 ALDH1A1 (0.76) ALDH1A1ENPP2CDK1LMNAMAPT
Hydrochloric Acid SCHEMBL7531560 0.80 ALDH1A1 (0.73) ALDH1A1ENPP2CDK1LMNAMAPT
SCHEMBL16272370 0.78 ENPP2 (0.57) ALDH1A1ENPP2CDK1MAPTMEN1
SCHEMBL12510023 0.78 ALDH1A1 (0.49) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL3422549 0.77 ENPP2 (0.48) ALDH1A1ENPP2CDK1AMY1AMAPT
SCHEMBL1755227 0.76 ENPP2 (0.56) ALDH1A1ENPP2CDK1AMY1AMAPT
SCHEMBL341936 0.76 ENPP2 (0.60) ALDH1A1ENPP2CDK1MAPTMEN1
SCHEMBL3423461 0.76 ENPP2 (0.44) ALDH1A1ENPP2CDK1AMY1AMAPT
SCHEMBL3425789 0.76 ENPP2 (0.47) ALDH1A1ENPP2CDK1AMY1AMAPT

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
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 US disclosed