SCHEMBL7140573

SCHEMBL7140573

Cc1ccc(S(=O)(=O)OSc2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 2/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
VDR P11473 1/20 0.41
KMT2A Q03164 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39

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
SCHEMBL7140571 0.80 EHMT2 (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL28588859 0.77 EHMT2 (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL7133969 0.77 EHMT2 (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL10330811 0.76 DNMT1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL25376470 0.73 ALDH1A1 (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL10404244 0.73 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL23241350 0.73 DNMT1 (0.52) ALDH1A1LMNASMN1; SMN2RAB9AKEAP1
SCHEMBL3100559 0.73 KEAP1 (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL7141187 0.73 KMT2A (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL10404243 0.72 ALDH1A1 (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086124-B1 NOVEL CYCLOSPORINS CHEM AG C (CH) 2003-11-19 EP disclosed
US-6583265-B1 Compound for use in the prevention of viral and bacterial infections C-CHEM AG (CH) 2003-06-24 US disclosed