SCHEMBL526592

SCHEMBL526592

O=C(O)[C@@H](CCn1nnc2ccccc2c1=O)[C@H](O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
EIF4EBP1 Q13541 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GPR139 Q6DWJ6 6/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL526342 0.89 GPR139 (0.47) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL530606 0.88 NPC1 (0.46) NPC1POLBRAB9ASMN1; SMN2MMP1
SCHEMBL530605 0.88 NPC1 (0.46) NPC1POLBRAB9ASMN1; SMN2MMP1
SCHEMBL529547 0.87 GPR139 (0.41) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL526083 0.86 NPC1 (0.54) NPC1POLBRAB9ASMN1; SMN2MMP1
SCHEMBL526247 0.84 NPSR1 (0.50) NPC1POLBRAB9ASMN1; SMN2MMP1
SCHEMBL528363 0.81 GPR139 (0.50) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL528362 0.81 GPR139 (0.50) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL527807 0.80 MMP1 (0.46) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL527806 0.80 MMP1 (0.46) NPC1RAB9ASMN1; SMN2MMP1MMP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP claimed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
EP-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP disclosed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed