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Sugi Predict / Compounds / SCHEMBL27991879

SCHEMBL27991879

SCHEMBL27991879

NS(=O)(=O)c1ccc(N2N=C(c3ccccc3Cl)CC2c2cccc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 14/20 1.00
▸ MMP9 P14780 14/20 1.00
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ PTGS2 P35354 1/20 0.64
▸ EGFR P00533 3/20 0.53
▸ ERBB2 P04626 3/20 0.53

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
SCHEMBL27954382 0.87 MMP2 (0.77) MMP2MMP9L3MBTL1
SCHEMBL27991839 0.86 MMP2 (0.75) MMP2MMP9L3MBTL1PTGS1PTGS2
SCHEMBL27992049 0.80 MMP2 (1.00) MMP2MMP9L3MBTL1PTGS1PTGS2
SCHEMBL27992058 0.79 MMP2 (0.78) MMP2MMP9L3MBTL1PTGS1PTGS2
SCHEMBL27944763 0.72 L3MBTL1 (0.69) MMP2MMP9L3MBTL1EGFRERBB2
SCHEMBL28810693 0.71 L3MBTL1 (0.79) MMP2MMP9L3MBTL1PTGS2
SCHEMBL5856319 0.71 PTGS1 (0.73) MMP2MMP9L3MBTL1PTGS1PTGS2
SCHEMBL9356235 0.70 EGFR (1.00) MMP2MMP9EGFRERBB2
SCHEMBL5857978 0.69 CA2 (0.56) MMP2MMP9L3MBTL1PTGS1PTGS2
SCHEMBL27954385 0.68 CA2 (0.76) MMP2MMP9L3MBTL1

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-104230904-A Synthesis of dihydropyrazol sulfonamide derivatives containing naphthalene ring skeletons and application of dihydropyrazol sulfonamide derivatives in anti-cancer drugs NANJING UNIVERSITY OF TECHNOLOGY 2014-12-24 — — CN disclosed
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