SCHEMBL16656208

SCHEMBL16656208

CCC(CO)c1cccc2c1-c1ccccc1C2=Nc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 1/20 0.36
KDR P35968 2/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL16601718 1.00 LRRK2 (0.39) LRRK2ALDH1A1KDRTOP2ATOP2B
SCHEMBL16601743 0.67 MEN1 (0.49) LRRK2ALDH1A1KDRNOS3NOS1
SCHEMBL8416365 0.66 PDCD1 (0.39) ALDH1A1KMT2A
SCHEMBL9153685 0.63 GABRA1 (0.48) ALDH1A1CA1CA2
SCHEMBL11996571 0.62 TSHR (0.44) CA12CA1CA2CA9
SCHEMBL15687492 0.61 NOTUM (0.34) ALDH1A1
SCHEMBL7970456 0.60 LRRK2 (0.44) LRRK2ALDH1A1KDRTOP2ATOP2B
SCHEMBL9220799 0.59 POLB (0.51) ALDH1A1NOS3NOS1CA12CA1
SCHEMBL12111786 0.59 MEN1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL18134597 0.58 ALDH1A1 (1.00) LRRK2ALDH1A1MEN1KMT2A

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
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed