SCHEMBL14715503

SCHEMBL14715503

CN(C)[C@H]1O/C(=C2/C(=O)Nc3ccccc32)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LRRK2 Q5S007 5/20 0.39
ACVR1 Q04771 2/20 0.39
PDGFRA P16234 2/20 0.39
FER P16591 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
POLB P06746 2/20 0.39
PBRM1 Q86U86 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
IDO1 P14902 2/20 0.37

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
SCHEMBL14715504 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6087481 0.82 LRRK2 (0.42) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6087485 0.82 LRRK2 (0.42) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6093666 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6093668 0.81 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL14725083 0.76 LRRK2 (0.39) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6086479 0.76 LRRK2 (0.39) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6086475 0.76 LRRK2 (0.39) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2
SCHEMBL6086032 0.76 LRRK2 (0.39) SMN1; SMN2ALDH1A1LRRK2ACVR1PDGFRA
SCHEMBL6086021 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTNPSR1LRRK2

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 claimed