SCHEMBL877171

SCHEMBL877171

O=C(OCC(O)CCn1nnc2ccccc2c1=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 2/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
TP53 P04637 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL877796 0.80 KMT2A (0.69) KMT2AMEN1NPSR1MMP1MMP2
SCHEMBL18787411 0.78 KMT2A (0.67) KMT2AMEN1NPSR1MMP1MMP2
SCHEMBL877959 0.76 GAA (0.47) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6293209 0.73 KMT2A (0.55) KMT2AMEN1NPSR1TSHRMMP1
SCHEMBL1845784 0.73 KMT2A (0.70) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL7861877 0.72 KMT2A (0.54) KMT2AMEN1NPSR1TSHRMMP1
SCHEMBL18807161 0.71 KMT2A (0.57) KMT2AMEN1NPSR1MMP1MMP2
SCHEMBL1842190 0.71 GPR139 (0.54) KMT2AMEN1NPSR1MMP1MMP2
SCHEMBL15203552 0.71 ALDH1A1 (0.67) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL874199 0.71 KDM4E (0.70) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2

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