SCHEMBL3467323

SCHEMBL3467323

COc1cc(S(=O)(=O)O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ S1PR1 P21453 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CCR1 P32246 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL5700299 0.85 SMN1; SMN2 (0.50) LOXLOXL2S1PR1LMNASMN1; SMN2
SCHEMBL25272109 0.83 LOX (0.44) LOXLOXL2S1PR1LMNASMN1; SMN2
SCHEMBL30232338 0.83 S1PR1 (0.53) LOXLOXL2S1PR1LMNASMN1; SMN2
SCHEMBL29774730 0.77 ALDH1A1 (0.43) LMNASMN1; SMN2CCR1CCR5CCR8
SCHEMBL1072803 0.77 ALDH1A1 (0.43) LMNASMN1; SMN2CCR1CCR5CCR8
SCHEMBL3466579 0.76 UHRF1 (0.46) LMNASMN1; SMN2CCR1CCR5CCR8
SCHEMBL28157668 0.76 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL16361065 0.76 CCR1 (0.63) LMNASMN1; SMN2CCR1CCR5CCR8
SCHEMBL8847160 0.74 ALDH1A1 (0.41) LMNASMN1; SMN2CCR1CCR5CCR8
SCHEMBL3468025 0.73 SMN1; SMN2 (0.37) LMNASMN1; SMN2ALDH1A1KDM4ETDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010085968-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS HIF-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-08-05 — — WO disclosed
WO-2010076034-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2010-07-08 — — WO disclosed
CN-100358901-C Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE INC (US) 2008-01-02 — — CN disclosed
CN-1329397-C Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE PHARMACY (US) 2007-08-01 — — CN disclosed
CN-1781916-A Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE INC (US) 2006-06-07 — — CN disclosed
CN-1568325-A Cross-linked glycopeptide-cephalosporin antibiotics THERAVANCE (US) 2005-01-19 — — CN disclosed
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