SCHEMBL8551906

SCHEMBL8551906

O=C1Nc2nccc(S(=O)(=O)O)c2C1=Cc1ccccc1.[Na]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
CTRC Q99895 1/20 0.40
EP300 Q09472 1/20 0.39
HPGD P15428 1/20 0.38
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38
RET P07949 2/20 0.37
FLT3 P36888 1/20 0.37
PLK4 O00444 1/20 0.37
PDGFRB P09619 1/20 0.37
PLK1 P53350 1/20 0.37
PPARG P37231 1/20 0.37
METAP1 P53582 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 2/20 0.36
SIRT3 Q9NTG7 2/20 0.36
SIRT5 Q9NXA8 2/20 0.36
CA12 O43570 1/20 0.36

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
Hydrochloric Acid SCHEMBL8551775 0.77 MAPT (0.42) APPMAPTSNCACTRCEP300
Trifluoroacetic Acid SCHEMBL8547172 0.73 MAPT (0.37) APPMAPTSNCACTRCEP300
SCHEMBL8322706 0.72 MAPT (0.64) APPMAPTSNCACTRCRET
SCHEMBL8320829 0.72 MAPT (0.64) APPMAPTSNCACTRCRET
SCHEMBL8551592 0.72 CYP1A2 (0.39) APPMAPTSNCACTRCEP300
SCHEMBL8320828 0.71 MAPT (0.62) APPMAPTSNCACTRCRET
SCHEMBL2063144 0.70 ITGA4 (0.46) APPMAPTSNCAEP300HPGD
SCHEMBL2063145 0.70 ITGA4 (0.46) APPMAPTSNCAEP300HPGD
SCHEMBL8549389 0.70 PDGFRB (0.37) APPMAPTSNCACTRCEP300
SCHEMBL8325317 0.65 MAPT (0.70) APPMAPTSNCACTRCHPGD

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-5719135-A TYROSINE KINASE INHIBITORS PHARMACIA S.P.A. (IT) 1998-02-17 US disclosed