SCHEMBL530858

SCHEMBL530858

Cc1c(NS(C)(=O)=O)cccc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.59
NFE2L2 Q16236 1/20 0.59
KMT2A Q03164 2/20 0.51
FFAR4 Q5NUL3 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NR3C1 P04150 2/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
JAK2 O60674 1/20 0.44
TEC P42680 1/20 0.44
TXK P42681 1/20 0.44
BMX P51813 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL5226243 0.85 KEAP1 (0.61) KEAP1NFE2L2KMT2AFFAR4KDM4E
SCHEMBL1127360 0.84 KMT2A (0.65) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5227771 0.82 FFAR4 (0.68) KEAP1NFE2L2KMT2AFFAR4KDM4E
SCHEMBL31481384 0.79 KDM4E (0.50) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13450268 0.79 KDM4E (0.50) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3378177 0.78 ALDH1A1 (0.47) KEAP1NFE2L2KMT2AKDM4EALDH1A1
SCHEMBL15387043 0.77 KDM4E (0.49) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL530856 0.77 ACLY (0.47) KEAP1NFE2L2KMT2AALDH1A1TSHR
SCHEMBL18548833 0.77 KEAP1 (0.59) KEAP1NFE2L2KMT2AKDM4EALDH1A1
SCHEMBL16305428 0.76 SIRT2 (0.55) KDM4EALDH1A1HSD17B10HPGDTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed