SCHEMBL8553402

SCHEMBL8553402

COc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
RXRA P19793 3/20 0.43
RAB9A P51151 2/20 0.41
F10 P00742 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RXRB P28702 2/20 0.40
PPARD Q03181 2/20 0.40
CYP3A4 P08684 1/20 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
CETP P11597 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
NR4A2 P43354 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
SCHEMBL8556976 0.92 SCN9A (0.44) SCN9ARXRARAB9AF10L3MBTL1
SCHEMBL8556108 0.91 RXRA (0.41) SCN9ARXRARAB9AF10L3MBTL1
SCHEMBL8556768 0.89 NR4A2 (0.45) RXRARXRBCYP3A4NR4A2
SCHEMBL8556294 0.89 RXRA (0.49) RXRARAB9AF10NPC1SMN1; SMN2
SCHEMBL8560532 0.88 RXRA (0.46) SCN9ARXRAF10RXRBCYP3A4
SCHEMBL8559961 0.87 RXRA (0.43) SCN9ARXRAL3MBTL1NPC1MEN1
SCHEMBL8556320 0.86 GRM2 (0.42) SCN9ARXRAF10RXRBCYP3A4
SCHEMBL8560691 0.86 CA1 (0.41) RXRAL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL8557664 0.86 L3MBTL1 (0.43) RXRARAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL8561129 0.86 PTGS2 (0.44) SCN9ARXRARXRBPTGDR2NR4A2

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