SCHEMBL8558012

SCHEMBL8558012

CCOC(=O)c1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 3/20 0.43
NR4A2 P43354 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 2/20 0.42
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
TARBP2 Q15633 1/20 0.41
MEN1 O00255 1/20 0.41
PRNP P04156 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 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
SCHEMBL8556797 0.91 ALDH1A1 (0.46) CA1CA2ALDH1A1HSD17B10KMT2A
SCHEMBL8556511 0.88 NR4A2 (0.46) CA1CA2ALDH1A1HSD17B10NR4A2
SCHEMBL8555990 0.84 NR4A2 (0.62) CA1CA2ALDH1A1NR4A2KDM4E
SCHEMBL7505599 0.83 CA1 (0.58) CA1CA2ALDH1A1HSD17B10KMT2A
SCHEMBL7499057 0.83 CA1 (0.58) CA1CA2ALDH1A1HSD17B10KMT2A
SCHEMBL8555035 0.83 NR4A2 (0.48) ALDH1A1KMT2ANR4A2KDM4EHPGD
SCHEMBL2117681 0.82 NR4A2 (0.63) ALDH1A1HSD17B10KMT2ANR4A2MAPT
SCHEMBL8560090 0.81 KDM4E (0.56) ALDH1A1KMT2ANR4A2KDM4EHPGD
SCHEMBL8555806 0.80 RXRA (0.52) ALDH1A1KMT2ANR4A2KDM4EHPGD
SCHEMBL8560591 0.79 NR4A2 (0.46) CA1CA2ALDH1A1HSD17B10NR4A2

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