SCHEMBL11216403

SCHEMBL11216403

N#[N+]c1ccc(S(=O)(=O)O)cc1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.50
ATIC P31939 2/20 0.42
CYP1A2 P05177 3/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NT5E P21589 1/20 0.37
POLB P06746 2/20 0.36
CDK2 P24941 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NSD2 O96028 1/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL11035060 0.90 TTR (0.40) TTRATICCYP1A2TSHRSMN1; SMN2
SCHEMBL937040 0.84 LMNA (0.52) TSHRSMN1; SMN2LMNAALDH1A1NT5E
Hydrochloric Acid SCHEMBL3425485 0.82 LMNA (0.50) TSHRSMN1; SMN2LMNAALDH1A1NT5E
Water SCHEMBL3249386 0.82 LMNA (0.50) TSHRSMN1; SMN2LMNAALDH1A1NT5E
SCHEMBL305631 0.80 TTR (0.72) TTRATICCYP1A2TSHRSMN1; SMN2
SCHEMBL8028660 0.80 TTR (0.72) TTRATICCYP1A2TSHRSMN1; SMN2
SCHEMBL1502472 0.80 TTR (0.72) TTRATICCYP1A2TSHRSMN1; SMN2
SCHEMBL6242 0.78 TTR (0.75) TTRATICCYP1A2SMN1; SMN2AURKA
SCHEMBL29363198 0.78 TTR (0.75) TTRATICCYP1A2SMN1; SMN2AURKA
SCHEMBL30233642 0.78 TTR (0.75) TTRATICCYP1A2SMN1; SMN2AURKA

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
JP-57103056-A None JP disclosed
JP-S57103056-A REAGENT FOR MEASURING DIRECT BILIRUBIN TOYOBO CO LTD 1982-06-26 JP disclosed