SCHEMBL27992049

SCHEMBL27992049

NS(=O)(=O)c1ccc(N2N=C(c3cccc(I)c3)CC2c2cccc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 17/20 1.00
▸ MMP9 P14780 17/20 1.00
▸ PTGS1 P23219 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ EGFR P00533 1/20 0.59
▸ ERBB2 P04626 1/20 0.59

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
SCHEMBL27992058 0.87 MMP2 (0.78) MMP2MMP9PTGS1PTGS2L3MBTL1
SCHEMBL27991879 0.80 MMP2 (1.00) MMP2MMP9PTGS1PTGS2L3MBTL1
SCHEMBL27991839 0.78 MMP2 (0.75) MMP2MMP9PTGS1PTGS2L3MBTL1
SCHEMBL28810693 0.77 L3MBTL1 (0.79) MMP2MMP9PTGS2L3MBTL1
SCHEMBL9356235 0.76 EGFR (1.00) MMP2MMP9EGFRERBB2
SCHEMBL28808747 0.74 MMP2 (0.81) MMP2MMP9PTGS2L3MBTL1
SCHEMBL27944763 0.73 L3MBTL1 (0.69) MMP2MMP9L3MBTL1EGFRERBB2
SCHEMBL14484122 0.73 CA1 (1.00) MMP2MMP9PTGS2L3MBTL1
SCHEMBL28020452 0.73 EGFR (0.77) MMP2MMP9L3MBTL1EGFRERBB2
SCHEMBL28020561 0.72 APC (0.75) MMP2MMP9EGFRERBB2

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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