SCHEMBL6566428

SCHEMBL6566428

O=S(=O)(O)c1cc(S(=O)(=O)O)c2[nH]c(-c3ccc(-c4nc5cccc(S(=O)(=O)O)c5[nH]4)c(S(=O)(=O)O)c3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
CYP2C19 P33261 7/20 0.34
CYP3A4 P08684 7/20 0.34
CYP2C9 P11712 7/20 0.34
CYP1A2 P05177 6/20 0.34
SCD O00767 4/20 0.34
ADORA2B P29275 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
Bisdisulizole SCHEMBL7706777 0.83 HDAC6 (0.49) HDAC6CYP2C19CYP3A4CYP2C9SCD
Bisdisulizole SCHEMBL7707182 0.83 HDAC6 (0.49) HDAC6CYP2C19CYP3A4CYP2C9SCD
SCHEMBL7190581 0.80 HDAC6 (0.59) HDAC6CYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL12866609 0.78 HDAC6 (0.55) HDAC6CYP2C19SCDADORA2BKDM4E
SCHEMBL18159480 0.77 SCD (0.47) HDAC6CYP2C19SCDADORA2BKDM4E
SCHEMBL15436708 0.77 HDAC6 (0.67) HDAC6CYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL6567018 0.76 HDAC6 (0.59) HDAC6CYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL25769743 0.76 HDAC6 (0.43) HDAC6CYP2C19SCDADORA2BKDM4E
SCHEMBL15436778 0.75 HDAC6 (0.51) HDAC6CYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL39084 0.75 HDAC6 (0.52) HDAC6SCDADORA2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669323-B2 COSMETIC AND DERMATOLOGICAL PREPARATIONS, CONTAINING PHENYLENE-1,4-BISBENZIMIDAZOLE SULFONIC ACIDS HAARMANN & REIMER GMBH (DE) 2004-04-07 EP claimed
EP-0669323-B1 COSMETIC AND DERMATOLOGICAL PREPARATIONS, CONTAINING PHENYLENE-1,4-BISBENZIMIDAZOLE SULFONIC ACIDS HAARMANN & REIMER GMBH (DE) 2001-05-09 EP claimed
EP-0669323-B2 COSMETIC AND DERMATOLOGICAL PREPARATIONS, CONTAINING PHENYLENE-1,4-BISBENZIMIDAZOLE SULFONIC ACIDS HAARMANN & REIMER GMBH (DE) 2004-04-07 EP disclosed
EP-0669323-B1 COSMETIC AND DERMATOLOGICAL PREPARATIONS, CONTAINING PHENYLENE-1,4-BISBENZIMIDAZOLE SULFONIC ACIDS HAARMANN & REIMER GMBH (DE) 2001-05-09 EP disclosed