SCHEMBL8561174

SCHEMBL8561174

COC(=O)Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NR4A2 P43354 3/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
ACLY P53396 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1I2 O75469 2/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8558805 0.90 ALDH1A1 (0.53) TSHRPKMALDH1A1NR4A2NR4A1
SCHEMBL8558225 0.89 NR4A2 (0.48) TSHRPKMHPGDMAPK1NPSR1
SCHEMBL8557632 0.88 NR4A2 (0.57) TSHRHPGDMAPK1KDM4EALDH1A1
SCHEMBL8555394 0.87 NR4A2 (0.47) TSHRPKMHPGDMAPK1NPSR1
SCHEMBL8558261 0.83 HSD11B1 (0.44) TSHRHPGDNPSR1KDM4EALDH1A1
SCHEMBL8555072 0.83 SLC40A1 (0.45) TSHRHPGDNPSR1KDM4EALDH1A1
SCHEMBL8556328 0.81 KDM4E (0.51) TSHRHPGDMAPK1KDM4EALDH1A1
SCHEMBL8555950 0.81 TSHR (0.44) TSHRPKMHPGDMAPK1NPSR1
SCHEMBL8557447 0.81 RXRA (0.59) TSHRHPGDMAPK1KDM4ENR4A2
SCHEMBL8560795 0.81 EDNRB (0.43) TSHRHPGDNPSR1KDM4EALDH1A1

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