SCHEMBL9423211

SCHEMBL9423211

CC(C)(C)c1cccc(C(C)(C)C)c1C(NS(=O)(=O)[CH]c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
ACLY P53396 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL9423209 0.83 ACLY (0.36) ACLYALDH1A1GAACA1CA2
SCHEMBL7088315 0.70 LMNA (0.34) ALDH1A1GAA
SCHEMBL7082210 0.68 MEN1 (0.38) ACLYALDH1A1GAACA1CA2
SCHEMBL9423213 0.68 DUT (0.36) HTTACLYALDH1A1
SCHEMBL7088314 0.66 LMNA (0.35) ACLYALDH1A1GAA
SCHEMBL5333467 0.65 HSP90AA1 (0.41) HTTALDH1A1
SCHEMBL7081979 0.64 ACLY (0.38) ACLYALDH1A1GAACA2
SCHEMBL9423113 0.61 ACLY (0.38) ACLYALDH1A1GAA
SCHEMBL2921575 0.60 KEAP1 (0.46) ACLYALDH1A1GAACA1CA2
SCHEMBL5604522 0.58 KMT2A (0.51) ALDH1A1GAACA1CA2

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
EP-0592439-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1994-04-20 EP claimed
WO-1992008693-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-29 WO claimed