SCHEMBL14725083

SCHEMBL14725083

O=C1Nc2ccccc2/C1=C1\OC(C(=O)O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.39
ALDH1A1 P00352 3/20 0.39
IDO1 P14902 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PDGFRA P16234 1/20 0.39
FER P16591 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6086479 1.00 LRRK2 (0.39) LRRK2ALDH1A1IDO1MAPTMAPK1
SCHEMBL6086475 1.00 LRRK2 (0.39) LRRK2ALDH1A1IDO1MAPTMAPK1
SCHEMBL6086021 0.88 ALDH1A1 (0.38) LRRK2ALDH1A1IDO1MAPTMAPK1
SCHEMBL14041733 0.87 TGM2 (0.40) LRRK2ALDH1A1MAPTMAOBMEN1
SCHEMBL6087504 0.81 APEX1 (0.43) LRRK2ALDH1A1IDO1MAPTMAPK1
SCHEMBL6086671 0.81 APEX1 (0.43) LRRK2ALDH1A1IDO1MAPTMAPK1
SCHEMBL6086673 0.81 APEX1 (0.43) LRRK2ALDH1A1IDO1MAPTMAPK1
SCHEMBL6087485 0.79 LRRK2 (0.42) LRRK2ALDH1A1IDO1MAPTNPSR1
SCHEMBL6087481 0.79 LRRK2 (0.42) LRRK2ALDH1A1IDO1MAPTNPSR1
SCHEMBL6086705 0.78 HSD17B10 (0.46) LRRK2ALDH1A1IDO1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed