SCHEMBL8561649

SCHEMBL8561649

COc1cc(OC)cc(-c2oc(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX3 P56373 1/20 0.41
SCN9A Q15858 1/20 0.38
F10 P00742 2/20 0.37
RAB9A P51151 2/20 0.36
EGFR P00533 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXRG P48443 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL8561020 0.92 RXRA (0.52) RXRARXRBF10RAB9AMAPT
SCHEMBL8556108 0.92 RXRA (0.41) RXRARXRBMEN1KMT2AP2RX3
SCHEMBL8556976 0.91 SCN9A (0.44) RXRARXRBMEN1KMT2ASCN9A
SCHEMBL8555918 0.87 RXRA (0.38) RXRARXRBMAPTALDH1A1RXRG
SCHEMBL8558000 0.86 RXRA (0.47) RXRARXRBMEN1KMT2ASCN9A
SCHEMBL8559432 0.86 MAPK1 (0.40) RXRAMEN1KMT2ASCN9ARAB9A
SCHEMBL8556294 0.86 RXRA (0.49) RXRARXRBKMT2AF10RAB9A
SCHEMBL8553428 0.86 CA1 (0.42) RXRAMEN1KMT2AP2RX3MAPT
SCHEMBL8557473 0.86 NR4A2 (0.44) RXRARXRBMEN1KMT2ASCN9A
SCHEMBL8559042 0.85 L3MBTL1 (0.43) RXRAMEN1KMT2AP2RX3RAB9A

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