SCHEMBL8554937

SCHEMBL8554937

CCCc1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR4A2 P43354 2/20 0.43
TSHR P16473 2/20 0.43
HSD11B1 P28845 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 2/20 0.40
METAP2 P50579 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8560630 0.90 MAPT (0.49) MAPTKDM4ELMNAHSD17B10TSHR
SCHEMBL8555234 0.87 AURKA (0.44) MAPTKDM4ELMNANR4A2TSHR
SCHEMBL8556747 0.85 RXRA (0.59) KDM4ELMNANR4A2TSHRHPGD
SCHEMBL8559925 0.85 ALDH1A1 (0.45) MAPTKDM4ELMNANR4A2HSD11B1
SCHEMBL8557930 0.84 HSD11B1 (0.44) MAPTKDM4ELMNAHSD17B10NR4A2
SCHEMBL8560767 0.83 NR4A2 (0.48) KDM4ELMNANR4A2TSHRNPSR1
SCHEMBL8560085 0.83 KDM4E (0.51) MAPTKDM4ELMNAHSD17B10NR4A2
SCHEMBL8557471 0.83 MAPT (0.48) MAPTKDM4ELMNAHSD17B10TSHR
SCHEMBL8559306 0.83 RXRA (0.60) KDM4ELMNANR4A2TSHRALDH1A1
SCHEMBL8554882 0.82 NR4A2 (0.57) MAPTKDM4ELMNANR4A2TSHR

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