SCHEMBL30040076

SCHEMBL30040076

Nc1ccc(Nc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ MAPT P10636 5/20 1.00
▸ TDP1 Q9NUW8 4/20 1.00
▸ KDM4E B2RXH2 4/20 1.00
▸ L3MBTL1 Q9Y468 3/20 1.00
▸ POLB P06746 2/20 1.00
▸ RECQL P46063 2/20 1.00
▸ CASP6 P55212 2/20 1.00
▸ NSD2 O96028 1/20 1.00
▸ APEX1 P27695 1/20 1.00
▸ APOBEC3A P31941 1/20 1.00
▸ APOBEC3G Q9HC16 1/20 1.00
▸ RAPGEF4 Q8WZA2 1/20 0.82
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ ELAVL1 Q15717 1/20 0.73
▸ NT5E P21589 1/20 0.66
▸ HSD17B10 Q99714 3/20 0.58
▸ ALOX15 P16050 2/20 0.56

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
SCHEMBL343582 1.00 GAA (1.00) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL9189649 0.92 RAPGEF4 (0.97) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL866958 0.90 RAPGEF4 (1.00) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL29516556 0.90 RAPGEF4 (1.00) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL9153370 0.89 ALDH1A1 (0.80) GAAALDH1A1MAPTTDP1KDM4E
Hydrochloric Acid SCHEMBL8652689 0.89 RAPGEF4 (0.97) GAAALDH1A1MAPTTDP1KDM4E
Ammonia Solution, Strong SCHEMBL7551968 0.89 RAPGEF4 (0.97) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL10878675 0.87 GAA (0.77) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL9627720 0.86 RAPGEF4 (0.80) GAAALDH1A1MAPTTDP1KDM4E
SCHEMBL10705815 0.86 RAPGEF4 (0.85) GAAALDH1A1MAPTTDP1KDM4E

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
CN-112662199-B Black dye compound and preparation method and dyeing application thereof 上海雅运新材料有限公司 2022-12-27 — — CN disclosed
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