SCHEMBL8558256

SCHEMBL8558256

Cc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
RXRA P19793 5/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 2/20 0.40
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
GPR174 Q9BXC1 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A2 P43354 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SCN9A Q15858 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KLKB1 P03952 1/20 0.35
CA12 O43570 2/20 0.34

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
SCHEMBL8561401 0.92 MAOB (0.41) MAOBRXRARXRBRXRGPTGS2
SCHEMBL8558565 0.91 PTGS2 (0.44) MAOBRXRARXRBRXRGPTGS2
SCHEMBL8559238 0.91 PTGS2 (0.42) MAOBRXRARXRBRXRGPTGS2
SCHEMBL8560020 0.91 RXRA (0.39) MAOBRXRARXRBRXRGPTGS2
SCHEMBL8559701 0.91 RXRA (0.39) MAOBRXRARXRBRXRGPTGS2
SCHEMBL8560576 0.88 RXRA (0.46) RXRARXRBRXRGPTGS2NPC1
SCHEMBL8560137 0.88 RXRA (0.49) MAOBRXRARXRBRXRGNPC1
SCHEMBL8558000 0.87 RXRA (0.47) MAOBRXRARXRBRXRGPTGS2
SCHEMBL8557473 0.87 NR4A2 (0.44) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL8555763 0.86 RXRA (0.46) MAOBRXRARXRBRXRGNPC1

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