SCHEMBL8554235

SCHEMBL8554235

O=C(O)c1ccc(OCc2nc(NS(=O)(=O)c3ccccc3)c(-c3ccccc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AR P10275 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
PTGER4 P35408 2/20 0.42
EGFR P00533 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
SRD5A2 P31213 1/20 0.40
PPARD Q03181 1/20 0.40
SMPD1 P17405 1/20 0.40
PIK3C2B O00750 1/20 0.39
PIK3C2G O75747 1/20 0.39
SLC16A3 O15427 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL9026048 0.95 MEN1 (0.50) MEN1KMT2AARNR4A2BCL2L1
SCHEMBL8561913 0.90 AR (0.46) MEN1KMT2AARBCL2L1MCL1
SCHEMBL8558557 0.89 MEN1 (0.48) MEN1KMT2ANR4A2BCL2L1MCL1
SCHEMBL8557604 0.87 AR (0.51) MEN1KMT2AARBCL2L1MCL1
SCHEMBL8555123 0.87 AR (0.51) MEN1KMT2AARBCL2L1MCL1
SCHEMBL9025550 0.84 AR (0.46) ARBCL2L1MCL1PTGER4TDP1
SCHEMBL8556035 0.83 MEN1 (0.45) MEN1KMT2AARNR4A1NR4A2
SCHEMBL8555566 0.83 CCR2 (0.41) KMT2A
SCHEMBL8555920 0.80 PGR (0.46) KMT2ATDP1GAATSHR
SCHEMBL8559033 0.80 GRM5 (0.44) AR

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