SCHEMBL8556331

SCHEMBL8556331

CCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
HPGD P15428 4/20 0.56
ALDH1A1 P00352 2/20 0.56
RXRA P19793 11/20 0.56
RXRB P28702 10/20 0.56
NR4A2 P43354 8/20 0.56
NR4A1 P22736 3/20 0.52
NR4A3 Q92570 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
GAA P10253 1/20 0.50
RXRG P48443 6/20 0.49
ABCC4 O15439 1/20 0.49
C5 P01031 1/20 0.49

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
SCHEMBL8560614 0.94 RXRA (0.52) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL8560090 0.92 KDM4E (0.56) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL8558227 0.90 RXRA (0.58) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL8558809 0.90 NR4A2 (0.50) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL8555806 0.86 RXRA (0.52) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL8557451 0.86 RXRA (0.67) KDM4EHPGDRXRARXRBNR4A2
SCHEMBL6308842 0.85 NR4A2 (0.60) KDM4EHPGDRXRARXRBNR4A2
SCHEMBL7506747 0.85 KDM4E (0.62) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL7506843 0.85 KDM4E (0.62) KDM4EHPGDALDH1A1RXRARXRB
SCHEMBL8546148 0.84 RXRA (0.53) KDM4EHPGDRXRARXRBNR4A2

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