SCHEMBL13630892

SCHEMBL13630892

CC(O)Oc1ccnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
NPC1 O15118 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
IDO1 P14902 1/20 0.38
GAK O14976 1/20 0.38
RIPK2 O43353 1/20 0.38
COQ8A Q8NI60 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
SCHEMBL12282776 0.86 MAPT (0.47) NCF1LOXL2AAK1NPC1MAPT
SCHEMBL15576290 0.83 NCF1 (0.43) NCF1LOXL2AAK1HTR1AADRA1D
SCHEMBL20045399 0.81 KMT2A (0.51) IDO1
SCHEMBL25827570 0.80 LOXL2 (0.42) NCF1LOXL2AAK1HTR1AADRA1D
SCHEMBL27558240 0.80 ADRB1 (0.47) NCF1LOXL2AAK1TP53SMN1; SMN2
SCHEMBL7510055 0.78 LOXL2 (0.40) NCF1LOXL2AAK1MAPTHTR1A
SCHEMBL25823363 0.78 MCHR1 (0.42) LOXL2AAK1
SCHEMBL828159 0.77 GAK (0.55) NCF1LOXL2SMN1; SMN2GAKRIPK2
SCHEMBL23716952 0.77 IDO1 (0.39) LOXL2AAK1MAPTSMN1; SMN2IDO1
SCHEMBL30614551 0.76 TLR8 (0.49) NCF1LOXL2AAK1ADRB1ADRB3

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-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed