SCHEMBL28044543

SCHEMBL28044543

C=CC(c1ccc(C)cc1)S(=O)(=O)n1ccc(C(=O)Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ PKM P14618 3/20 0.33
▸ HTT P42858 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ NLRP1 Q9C000 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GRM4 Q14833 1/20 0.30

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
SCHEMBL27591140 0.90 ALDH1A1 (0.37) ALDH1A1PKMLMNASMN1; SMN2TDP1
SCHEMBL27591138 0.80 — —
SCHEMBL27572608 0.78 CA1 (0.46) LMNA
SCHEMBL27915239 0.74 KDM4E (0.33) PKMSMN1; SMN2
SCHEMBL589219 0.72 ALDH1A1 (0.61) ALDH1A1PKMHTTLMNAMEN1
SCHEMBL27979918 0.69 TLR9 (0.36) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL7107937 0.69 TLR9 (0.39) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL27691091 0.68 PKM (0.33) ALDH1A1PKMHTTLMNAMEN1
SCHEMBL27592268 0.67 TLR9 (0.38) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL28783948 0.67 — —

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-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 — — CN disclosed
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