SCHEMBL7609854

SCHEMBL7609854

[CH2]c1cccc(N(CC(C)C)S(=O)(=O)c2ccc3[nH]c(N)nc3c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.39
MCL1 Q07820 7/20 0.36
BCL2L1 Q07817 6/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KMT2A Q03164 1/20 0.33
ACR P10323 1/20 0.33
F7 P08709 1/20 0.32

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
SCHEMBL5026552 0.85 RORC (0.36) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL8517147 0.83 ACR (0.54) RORCKMT2AACR
SCHEMBL7450471 0.81 RORC (0.39) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL7451743 0.80 RORC (0.45) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL7343868 0.79 RORC (0.47) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL5174385 0.79 ALDH1A1 (0.45) RORCMCL1BCL2L1KMT2A
SCHEMBL5031175 0.77 SPPL2A (0.37) MCL1BCL2L1KMT2A
SCHEMBL7450627 0.77 RORC (0.46) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL2578313 0.76 MCL1 (0.50) RORCMCL1BCL2L1PSEN1PSEN2
SCHEMBL5031155 0.75 RORC (0.40) RORC

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-0815124-B1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2002-12-04 EP disclosed
EP-1258491-A1 Amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2002-11-20 EP disclosed