SCHEMBL8559432

SCHEMBL8559432

COc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RXRA P19793 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SCN9A Q15858 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
ADORA1 P30542 1/20 0.38
RAB9A P51151 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
SCHEMBL8559961 0.92 RXRA (0.43) MAPK1LMNAL3MBTL1PDE4APDE4B
SCHEMBL8555759 0.92 PTGS2 (0.39) MAPK1LMNAL3MBTL1TSHRRXRA
SCHEMBL8560188 0.92 PTGS2 (0.47) RXRASCN9AMAPTADORA1
SCHEMBL8560736 0.92 PTGS2 (0.47) L3MBTL1RXRASCN9AMAPT
SCHEMBL8556976 0.87 SCN9A (0.44) LMNAL3MBTL1ALDH1A1RXRAMEN1
SCHEMBL8559802 0.87 RXRA (0.49) TSHRALDH1A1RXRASCN9AMAPT
SCHEMBL8561020 0.86 RXRA (0.52) LMNATSHRALDH1A1RXRAMAPT
SCHEMBL8553428 0.86 CA1 (0.42) MAPK1L3MBTL1TSHRALDH1A1RXRA
SCHEMBL8561649 0.86 RXRA (0.41) L3MBTL1ALDH1A1RXRAMEN1KMT2A
SCHEMBL7507652 0.86 PTGS2 (0.45) MAPK1LMNAL3MBTL1TSHRRXRA

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