SCHEMBL6567018

SCHEMBL6567018

O=S(=O)(O)c1ccc2[nH]c(-c3ccc(-c4nc5ccccc5[nH]4)c(S(=O)(=O)O)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
SCD O00767 4/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPBWR1 P48145 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9242824 0.86 HDAC6 (0.58) HDAC6SCDMMP2MMP9MMP8
SCHEMBL3738884 0.84 HDAC6 (0.63) HDAC6MMP2MMP9MMP8MMP13
SCHEMBL5178280 0.83 HDAC6 (0.84) HDAC6SCDNPC1RAB9AKDM4E
SCHEMBL318730 0.81 HDAC6 (0.67) HDAC6SCDNPBWR1
SCHEMBL15895542 0.80 HDAC6 (0.75) HDAC6SCDNPBWR1CYP3A4CYP2C9
Ensulizole SCHEMBL16277 0.80 HDAC6 (0.79) HDAC6SCDMMP2MMP9MMP8
Ensulizole SCHEMBL29405567 0.80 HDAC6 (0.79) HDAC6SCDMMP2MMP9MMP8
SCHEMBL7759314 0.80 HDAC6 (0.66) HDAC6SCDMMP2MMP9MMP8
Ensulizole SCHEMBL4619449 0.80 HDAC6 (0.79) HDAC6SCDMMP2MMP9MMP8
SCHEMBL6517599 0.80 HDAC6 (0.69) HDAC6SCDMMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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