SCHEMBL8556976

SCHEMBL8556976

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
RAB9A P51151 3/20 0.41
F10 P00742 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARD Q03181 2/20 0.40
CYP3A4 P08684 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.38
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8553402 0.92 SCN9A (0.44) SCN9ARAB9AF10L3MBTL1NPC1
SCHEMBL8561649 0.91 RXRA (0.41) SCN9ARAB9AF10L3MBTL1NPC1
SCHEMBL8557473 0.89 NR4A2 (0.44) SCN9ACYP3A4RXRARXRBRXRG
SCHEMBL8561020 0.89 RXRA (0.52) RAB9AF10NPC1SMN1; SMN2TDP1
SCHEMBL8560576 0.88 RXRA (0.46) SCN9ARAB9AF10NPC1SMN1; SMN2
SCHEMBL8553428 0.87 CA1 (0.42) L3MBTL1SMN1; SMN2RXRAMEN1KMT2A
SCHEMBL8559432 0.87 MAPK1 (0.40) SCN9ARAB9AL3MBTL1NPC1RXRA
SCHEMBL8559042 0.86 L3MBTL1 (0.43) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL8559710 0.86 PTGS2 (0.42) SCN9ASMN1; SMN2RXRARXRBRXRG
SCHEMBL8560340 0.86 RXRA (0.46) RAB9AF10NPC1CYP3A4RXRA

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