SCHEMBL8559961

SCHEMBL8559961

COc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
MAPK1 P28482 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 3/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA4 P22748 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 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
SCHEMBL8559432 0.92 MAPK1 (0.40) RXRAMAPK1L3MBTL1LMNAPDE4A
SCHEMBL8561125 0.92 PTGS2 (0.47) RXRACA4SCN9AMAPTPTGS1
SCHEMBL8561414 0.92 PTGS2 (0.47) RXRAL3MBTL1SCN9AMAPTPTGS1
SCHEMBL8559470 0.92 RXRA (0.41) RXRACA4SCN9AMAPTPTGS1
SCHEMBL8553402 0.87 SCN9A (0.44) RXRAL3MBTL1MEN1KMT2ASCN9A
SCHEMBL8557954 0.87 RXRA (0.47) RXRALMNATSHRALDH1A1SCN9A
SCHEMBL8556294 0.86 RXRA (0.49) RXRATSHRALDH1A1KMT2AMAPT
SCHEMBL8556108 0.86 RXRA (0.41) RXRAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7503476 0.86 PTGS2 (0.47) MAPK1L3MBTL1LMNATSHRMEN1
SCHEMBL8560691 0.85 CA1 (0.41) RXRAMAPK1L3MBTL1TSHRALDH1A1

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