SCHEMBL28810693

SCHEMBL28810693

NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.79
▸ CA2 P00918 11/20 0.76
▸ CA1 P00915 9/20 0.76
▸ KDM4E B2RXH2 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ GLA P06280 3/20 0.76
▸ GAA P10253 3/20 0.76
▸ MAPT P10636 3/20 0.76
▸ HPGD P15428 2/20 0.76
▸ CFTR P13569 1/20 0.76
▸ GOPC Q9HD26 1/20 0.76
▸ MMP2 P08253 3/20 0.76
▸ MMP9 P14780 2/20 0.76
▸ CA12 O43570 1/20 0.71
▸ CA9 Q16790 1/20 0.71
▸ MEN1 O00255 1/20 0.69
▸ HSP90AA1 P07900 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ TLR9 Q9NR96 1/20 0.69
▸ ATM Q13315 2/20 0.68

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
SCHEMBL27954385 0.91 CA2 (0.76) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL14484122 0.86 CA1 (1.00) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL27944763 0.86 L3MBTL1 (0.69) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL28808747 0.85 MMP2 (0.81) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL27954382 0.84 MMP2 (0.77) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL5330451 0.82 MEN1 (1.00) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL18826388 0.81 CA1 (0.91) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL18826376 0.81 CA1 (0.91) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL18826375 0.81 CA1 (0.91) L3MBTL1CA2CA1KDM4EALDH1A1
SCHEMBL18826392 0.78 L3MBTL1 (1.00) L3MBTL1CA2CA1KDM4EALDH1A1

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-103664786-A Synthesis method of dihydro-pyrazole sulfonamide derivatives of salicylaldehydes and application of dihydro-pyrazole sulfonamide derivatives to preparation of anticancer drugs NANJING UNIVERSITY OF TECHNOLOGY 2014-03-26 — — CN disclosed
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