SCHEMBL5262159

SCHEMBL5262159

CCC(Cc1ccc(N)cc1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
NT5E P21589 1/20 0.39
RECQL P46063 1/20 0.38
FDPS P14324 1/20 0.37
CA2 P00918 3/20 0.37
RAD52 P43351 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 1/20 0.35
SOAT1 P35610 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL6720484 0.81 TRPA1 (0.47) POLBNPC1RAB9A
SCHEMBL10413736 0.79 CTSC (0.31)
SCHEMBL9790395 0.74 RECQL (0.40) GAAALDH1A1TSHRNT5ERECQL
SCHEMBL11230019 0.72 ALDH1A1 (0.53) GAAALDH1A1TSHRNT5ERECQL
SCHEMBL19934042 0.70 TSHR (0.46) ALDH1A1TSHRRECQLGFERCYP3A4
Sulfuric Acid SCHEMBL27914272 0.69 TSHR (0.54) GAAALDH1A1TSHRNT5ERECQL
SCHEMBL6111976 0.69 ESR1 (0.50) CYP3A4TDP1
SCHEMBL16104379 0.69 CYP1A2 (0.57)
SCHEMBL9654618 0.69 CYP1A2 (0.57)
SCHEMBL23654696 0.69 CYP1A2 (0.50) CA2CA12CA14

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
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed