SCHEMBL8558557

SCHEMBL8558557

O=C(O)c1cccc(OCc2nc(NS(=O)(=O)c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NR4A2 P43354 3/20 0.47
KAT6A Q92794 4/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
VDR P11473 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PIK3C2B O00750 1/20 0.44
PIK3C2G O75747 1/20 0.44
PFKFB3 Q16875 1/20 0.43
AKR1C3 P42330 1/20 0.43
ACLY P53396 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8554235 0.89 MEN1 (0.45) MEN1KMT2ANR4A2GPBAR1PIK3C2B
SCHEMBL8561913 0.88 AR (0.46) MEN1KMT2ABCL2L1MCL1NPC1
SCHEMBL8559033 0.86 GRM5 (0.44) KAT6A
SCHEMBL8555920 0.86 PGR (0.46) KMT2A
SCHEMBL9026048 0.85 MEN1 (0.50) MEN1KMT2ANR4A2KAT6ABCL2L1
SCHEMBL8553921 0.84 MEN1 (0.48) MEN1KMT2ANR4A2KAT6AGPBAR1
SCHEMBL9025550 0.82 AR (0.46) BCL2L1MCL1NPC1RAB9AALDH1A1
SCHEMBL8555566 0.81 CCR2 (0.41) KMT2AVDRACLYNPC1ALDH1A1
SCHEMBL8557604 0.81 AR (0.51) MEN1KMT2ABCL2L1MCL1ALDH1A1
SCHEMBL8555123 0.81 AR (0.51) MEN1KMT2ABCL2L1MCL1NPC1

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
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed