SCHEMBL28769697

SCHEMBL28769697

O=C(O)N1CCc2sc(S(=O)(=O)Cl)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.40
F2 P00734 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
F10 P00742 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.32
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
AKR1C3 P42330 1/20 0.31
KDM1A O60341 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL3652903 0.89 HDAC6 (0.40) HDAC6F10NPC1RAB9APKM
SCHEMBL4183295 0.81 ESR2 (0.50) HDAC6ESR2
SCHEMBL25796673 0.78 F10 (0.41) F10PRMT5WDR77ALDH1A1
SCHEMBL13673816 0.76 ALDH1A1 (0.56) HDAC6F2TPSAB1TPSD1TPSG1
SCHEMBL20741820 0.76 HDAC6 (0.47) HDAC6F2TPSAB1TPSD1TPSG1
SCHEMBL3441635 0.75 HDAC6 (0.43) HDAC6F2TPSAB1TPSD1TPSG1
SCHEMBL3441449 0.74 HDAC6 (0.42) HDAC6F2TPSAB1TPSD1TPSG1
SCHEMBL28956427 0.72 HDAC6 (0.41) HDAC6F2TPSAB1TPSD1TPSG1
SCHEMBL5244207 0.72 CCR2 (0.45) HDAC6F10NPC1RAB9APKM
SCHEMBL3441436 0.71 HDAC6 (0.39) HDAC6F2TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068804-A Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use TRANSTECH PHARMA INC (US) 2007-11-07 CN disclosed