SCHEMBL8556510

SCHEMBL8556510

COC(=O)c1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
CCR4 P51679 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
HSD11B1 P28845 1/20 0.41
PTGS1 P23219 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
ACLY P53396 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL9025944 0.92 MAPT (0.52) KDM4EKMT2AMAPTTP53HSD17B10
SCHEMBL8558011 0.88 TP53 (0.55) KDM4EKMT2AMAPTTP53HSD17B10
SCHEMBL8555985 0.87 NR4A2 (0.54) KDM4EKMT2AMAPTHSD17B10ALDH1A1
SCHEMBL9026868 0.84 MAPT (0.42) KDM4EKMT2AMAPTTP53HSD17B10
SCHEMBL8560588 0.80 KDM4E (0.51) KDM4EKMT2AHSD17B10ALDH1A1HPGD
SCHEMBL8555950 0.80 TSHR (0.44) KDM4EKMT2AMAPTTP53CCR4
SCHEMBL8560767 0.78 NR4A2 (0.48) KDM4EKMT2AALDH1A1HPGDPTGS1
SCHEMBL9025484 0.77 KDM4E (0.48) KDM4EKMT2AHSD17B10ALDH1A1HPGD
SCHEMBL8560566 0.76 NR4A2 (0.47) KDM4EKMT2AALDH1A1HPGDPTGS1
SCHEMBL8554882 0.76 NR4A2 (0.57) KDM4EKMT2AMAPTTP53ALDH1A1

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