SCHEMBL8556035

SCHEMBL8556035

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 2/20 0.43
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
POLB P06746 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
SLC16A3 O15427 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL9025890 0.95 AR (0.45) MEN1KMT2ANR1H4ARNR4A2
SCHEMBL8553642 0.90 AR (0.46) MEN1KMT2AARBCL2L1MCL1
SCHEMBL8553921 0.89 MEN1 (0.48) MEN1KMT2ANR4A2BCL2L1MCL1
SCHEMBL8557997 0.87 AR (0.51) MEN1KMT2AARBCL2L1MCL1
SCHEMBL8557266 0.87 AR (0.51) MEN1KMT2AARBCL2L1MCL1
SCHEMBL9025133 0.84 AR (0.46) ARBCL2L1MCL1PTGER4POLB
SCHEMBL8558890 0.83 CCR2 (0.41) KMT2A
SCHEMBL8554235 0.83 MEN1 (0.45) MEN1KMT2ANR1H4ARNR4A1
SCHEMBL8560966 0.83 AR (0.48) MEN1KMT2AARBCL2L1MCL1
SCHEMBL8556744 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