SCHEMBL8560532

SCHEMBL8560532

Cc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
RXRB P28702 6/20 0.46
NR4A2 P43354 6/20 0.42
RXRG P48443 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
F10 P00742 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL8556768 0.92 NR4A2 (0.45) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL8560576 0.91 RXRA (0.46) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL8560360 0.90 RXRA (0.44) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL8555226 0.89 RXRA (0.46) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL8561129 0.89 PTGS2 (0.44) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL8553402 0.88 SCN9A (0.44) RXRARXRBNR4A2F10CYP3A4
SCHEMBL8561401 0.88 MAOB (0.41) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL8555499 0.88 RXRA (0.49) RXRARXRBNR4A2RXRGF10
SCHEMBL8558684 0.86 RXRA (0.46) RXRARXRBNR4A2RXRGALDH1A1
SCHEMBL8554839 0.86 RXRA (0.38) RXRARXRBNR4A2RXRGALDH1A1

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