SCHEMBL16601743

SCHEMBL16601743

N#Cc1cccc2c1-c1ccccc1C2=Nc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.42
PDK2 Q15119 1/20 0.38
ESR2 Q92731 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
FFAR1 O14842 1/20 0.32
AKR1B1 P15121 1/20 0.32
TSHR P16473 2/20 0.32
KDR P35968 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL16601755 0.79 ALDH1A1 (0.68) MEN1KMT2AALDH1A1PDK2TSHR
SCHEMBL16601744 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1PDK2ESR2
SCHEMBL12111786 0.75 MEN1 (0.48) MEN1KMT2AALDH1A1PDK2MAOA
SCHEMBL16601699 0.74 S100A4 (0.48) MEN1KMT2AALDH1A1LRRK2
SCHEMBL16656169 0.71 MEN1 (0.56) MEN1KMT2AALDH1A1PDK2ESR2
SCHEMBL1713 0.71 ESR2 (0.67) ESR2PDCD1CD274FFAR1AKR1B1
SCHEMBL5576916 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1PDK2ESR2
SCHEMBL2567528 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1PDK2ESR2
SCHEMBL16601718 0.67 LRRK2 (0.39) MEN1KMT2AALDH1A1LRRK2KDR
SCHEMBL16656346 0.65 FYN (0.42) MEN1KMT2AALDH1A1LRRK2TSHR

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 3 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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed