SCHEMBL14224890

SCHEMBL14224890

O=S(=O)(O)c1cc(S)c2nc(-c3ccc(-c4nc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5[nH]4)cc3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
SCD O00767 5/20 0.38
DHODH Q02127 6/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PARP1 P09874 1/20 0.35
NPBWR1 P48145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL29507075 0.92 HDAC6 (0.52) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL62139 0.92 HDAC6 (0.52) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL29507102 0.92 HDAC6 (0.52) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL4777834 0.91 HDAC6 (0.51) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL1830829 0.91 HDAC6 (0.51) HDAC6SCDDHODHCYP3A4CYP2D6
SCHEMBL22902385 0.90 HDAC6 (0.46) HDAC6SCDDHODHCYP3A4CYP2D6
SCHEMBL6575742 0.85 HDAC6 (0.63) HDAC6SCDDHODHCYP3A4CYP2D6
SCHEMBL20848229 0.85 HDAC6 (0.46) HDAC6SCDDHODHKDM4EALDH1A1
Bisdisulizole SCHEMBL1830834 0.85 HDAC6 (0.49) HDAC6SCDDHODHCYP3A4CYP2D6
Bisdisulizole SCHEMBL29366474 0.85 HDAC6 (0.49) HDAC6SCDDHODHCYP3A4CYP2D6

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
WO-2008040457-A1 COSMETIC OR DERMATOLOGICAL PREPARATIONS WITH COMBINATIONS OF METHYL (R)-2-[((1R, 2S, 5R)-2-ISOPROPYL-5-METHYL-CYCLOHEXANECARBONYL)-AMINO]-PROPIONATE AND ONE OR MORE LIGHT PROTECTIVE FILTER SUBSTANCES BEIERSDORF AG (DE) 2008-04-10 WO disclosed
EP-1371358-B1 Cosmetic and dermatological sunscreening compositions containing UV-absorbers and synthetic organic polymers BEIERSDORF AG (DE) 2007-08-15 EP disclosed