SCHEMBL8690648

SCHEMBL8690648

CC(=O)Oc1cc(S(=O)(=O)N2CC3CCC(CC3)C2)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
AKR1C3 P42330 4/20 0.42
AKR1C1 Q04828 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL8693647 0.88 KMT2A (0.49) KMT2AAKR1C3AKR1C1LMNAMCOLN3
SCHEMBL9093759 0.82 ALDH1A1 (0.47) AKR1C3AKR1C1HDAC3HDAC4HDAC1
SCHEMBL8694414 0.79 AKR1C3 (0.42) KMT2AAKR1C3AKR1C1HDAC3HDAC4
SCHEMBL9093848 0.76 HCRTR1 (0.39) KMT2AAKR1C3HDAC3HDAC4HDAC1
SCHEMBL8690346 0.76 HTT (0.47) KMT2ALMNAHTTALDH1A1GAA
SCHEMBL8691819 0.76 ALDH1A1 (0.39) KMT2AAKR1C3AKR1C1HDAC3HDAC4
SCHEMBL9093847 0.74 MCOLN3 (0.64) KMT2AAKR1C3AKR1C1LMNAMCOLN3
SCHEMBL9093918 0.73 AKR1C3 (0.44) KMT2AAKR1C3AKR1C1LMNAMCOLN3
SCHEMBL9093869 0.73 HTR6 (0.44) KMT2AALDH1A1
SCHEMBL9093840 0.72 KMT2A (0.37) KMT2AAKR1C3AKR1C1HDAC3HDAC4

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
US-5707985-A Naphthyl-, quinolyl- and isoquinolyl- sulfonamide derivatives as cell adhesion modulators TANABE SEIYAKU CO. LTD. (JP) 1998-01-13 US claimed
WO-1996040641-A1 SULFONAMIDE DERIVATIVES AS CELL ADHESION MODULATORS TANABE SEIYAKU CO., LTD. (JP) 1996-12-19 WO disclosed