SCHEMBL8556328

SCHEMBL8556328

CCOC(=O)CCc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 2/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
NR4A2 P43354 5/20 0.46
CYP3A4 P08684 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
CYP1A2 P05177 1/20 0.45
NR4A1 P22736 2/20 0.44
NR4A3 Q92570 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
RXRA P19793 6/20 0.43
RXRB P28702 6/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL8560610 0.94 ALDH1A1 (0.45) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8558225 0.90 NR4A2 (0.48) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8558805 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1GAACYP2C9
SCHEMBL8557447 0.86 RXRA (0.59) KDM4EHPGDCYP2C19NR4A2CYP3A4
SCHEMBL8555394 0.84 NR4A2 (0.47) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL9026644 0.84 KMT2A (0.45) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8560085 0.83 KDM4E (0.51) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8560795 0.83 EDNRB (0.43) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8561174 0.81 TSHR (0.44) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8555072 0.81 SLC40A1 (0.45) KDM4EHPGDALDH1A1KMT2AMEN1

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