SCHEMBL8558890

SCHEMBL8558890

O=C(O)c1ccccc1OCc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.41
VDR P11473 1/20 0.41
CCR1 P32246 1/20 0.40
APEX1 P27695 1/20 0.40
ACLY P53396 1/20 0.40
RXFP1 Q9HBX9 4/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37

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
SCHEMBL8555239 0.85 MAPT (0.48) NPC1MAPTALDH1A1KMT2A
SCHEMBL8555993 0.85 HPGD (0.46) MAPTALDH1A1
SCHEMBL8553642 0.83 AR (0.46) NPC1MAPTALDH1A1KMT2A
SCHEMBL8556035 0.83 MEN1 (0.45) KMT2A
SCHEMBL8555566 0.83 CCR2 (0.41) CCR2VDRCCR1APEX1ACLY
SCHEMBL9025890 0.81 AR (0.45) KMT2A
SCHEMBL8557997 0.81 AR (0.51) NPC1MAPTKMT2A
SCHEMBL8553921 0.81 MEN1 (0.48) VDRACLYNPC1ALDH1A1KMT2A
SCHEMBL8557266 0.79 AR (0.51) MAPTKMT2A
SCHEMBL8560966 0.79 AR (0.48) MAPTKMT2A

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