SCHEMBL877444

SCHEMBL877444

COc1ccc(N(C(CCn2nnc3ccccc3c2=O)C(=O)OCc2ccccc2)S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.49
GPR139 Q6DWJ6 5/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 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 2/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL876684 0.90 GPR139 (0.52) HPGDKMT2AGPR139ALDH1A1TSHR
SCHEMBL878345 0.90 GPR139 (0.52) HPGDKMT2AGPR139ALDH1A1TSHR
SCHEMBL877887 0.88 MMP2 (0.42) HPGDKMT2AGPR139ALDH1A1TSHR
SCHEMBL877515 0.82 KMT2A (0.47) HPGDKMT2AGPR139ALDH1A1MMP1
SCHEMBL876636 0.81 KMT2A (0.52) HPGDKMT2AGPR139ALDH1A1MMP1
SCHEMBL874810 0.81 GPR139 (0.52) HPGDKMT2AGPR139ALDH1A1TSHR
SCHEMBL875064 0.81 GPR139 (0.49) HPGDKMT2AGPR139ALDH1A1TSHR
SCHEMBL874163 0.81 GPR139 (0.45) HPGDKMT2AGPR139ALDH1A1MMP1
SCHEMBL877287 0.81 MMP1 (0.47) HPGDKMT2AGPR139ALDH1A1TSHR
SCHEMBL877837 0.81 MMP1 (0.47) HPGDKMT2AGPR139ALDH1A1TSHR

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