SCHEMBL873814

SCHEMBL873814

C=CCOC(=O)C(CCn1nnc2ccccc2c1=O)N(c1ccc(C(=O)O)cc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
GPR139 Q6DWJ6 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL876636 0.81 KMT2A (0.52) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL877444 0.80 HPGD (0.50) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL874931 0.79 KMT2A (0.48) ALDH1A1LMNAHPGDSMN1; SMN2GAA
SCHEMBL877140 0.79 MMP2 (0.51) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL877531 0.79 MMP2 (0.51) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL876684 0.79 GPR139 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL878345 0.79 GPR139 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL877810 0.79 GPR139 (0.50) ALDH1A1LMNASMN1; SMN2KMT2AKDM4E
SCHEMBL877478 0.79 GPR139 (0.50) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL873961 0.77 MMP2 (0.47) ALDH1A1KMT2AKDM4EMEN1NPSR1

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed