SCHEMBL874492

SCHEMBL874492

O=C(Nc1ccc(S(=O)(=O)C(CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRMT1 Q99873 1/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL875318 0.94 KMT2A (0.46) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL874410 0.94 HTT (0.54) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL878191 0.94 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL875418 0.92 KMT2A (0.45) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL875017 0.92 HTT (0.47) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL877579 0.92 KMT2A (0.50) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL874677 0.90 PRMT1 (0.45) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL875118 0.90 TSHR (0.52) KMT2AKDM4EMEN1MMP2
SCHEMBL874387 0.89 KMT2A (0.48) KMT2AKDM4EALDH1A1MEN1HSD17B10
SCHEMBL874194 0.88 ALOX15 (0.48) KMT2AKDM4EALDH1A1MEN1HSD17B10

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
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed