SCHEMBL877796

SCHEMBL877796

O=c1c2ccccc2nnn1CCC(O)CO

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 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
SCHEMBL4873292 0.82 KMT2A (1.00) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL18787411 0.82 KMT2A (0.67) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL10919578 0.80 KMT2A (0.82) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL877171 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11349671 0.79 MEN1 (0.76) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL764382 0.78 KMT2A (0.62) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL379507 0.76 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL1845784 0.75 KMT2A (0.70) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL18807161 0.75 KMT2A (0.57) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL1842190 0.74 GPR139 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A

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