SCHEMBL30132089

SCHEMBL30132089

CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 8/20 0.43
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 6/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7915441 1.00 MAPT (0.48) MAPTNPSR1ALDH1A1TSHRPKM
SCHEMBL432548 1.00 MAPT (0.48) MAPTNPSR1ALDH1A1TSHRPKM
SCHEMBL14599149 1.00 MAPT (0.48) MAPTNPSR1ALDH1A1TSHRPKM
SCHEMBL63297 1.00 MAPT (0.48) MAPTNPSR1ALDH1A1TSHRPKM
SCHEMBL13458992 1.00 MAPT (0.48) MAPTNPSR1ALDH1A1TSHRPKM
Ammonia Solution, Strong SCHEMBL2319900 0.99 MAPT (0.47) MAPTNPSR1ALDH1A1TSHRPKM
Ammonia Solution, Strong SCHEMBL306103 0.99 MAPT (0.47) MAPTNPSR1ALDH1A1TSHRPKM
Ammonia Solution, Strong SCHEMBL21840 0.99 MAPT (0.47) MAPTNPSR1ALDH1A1TSHRPKM
Ammonia Solution, Strong SCHEMBL21839 0.99 MAPT (0.47) MAPTNPSR1ALDH1A1TSHRPKM
Hydrogen Peroxide SCHEMBL5566292 0.99 MAPT (0.47) MAPTNPSR1ALDH1A1TSHRPKM

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
EP-4133100-A2 ASSAY TO DETECT VIRUS Cornell University (US) 2023-02-15 EP disclosed