SCHEMBL8719982

SCHEMBL8719982

COC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)oc1S(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 7/20 0.57
HSD17B10 Q99714 7/20 0.57
HPGD P15428 5/20 0.57
MAPK1 P28482 2/20 0.51
TARBP2 Q15633 2/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC9A1 P19634 1/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TOP2A P11388 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL8572041 0.82 TARBP2 (0.49) KDM4EALDH1A1HSD17B10HPGDTARBP2
SCHEMBL31687993 0.78 IKBKB (0.68) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL2778345 0.76 TARBP2 (0.70) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL7065162 0.76 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13007418 0.73 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL14504405 0.73 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL13007419 0.73 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL2775823 0.72 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL28793572 0.72 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL8890199 0.71 IKBKB (0.61) KDM4EALDH1A1HSD17B10HPGDTARBP2

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-5827869-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 US disclosed