SCHEMBL9408768

SCHEMBL9408768

COc1cc(CN)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HSP90AB1 P08238 2/20 0.33
NQO2 P16083 1/20 0.33
CALM1 P0DP23 1/20 0.33

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
SCHEMBL1098519 0.88 RAB9A (0.46) NPC1RAB9AHTTLMNAPOLB
SCHEMBL28547204 0.84 IDH1 (0.44) NPC1RAB9AHTTLMNAPOLB
SCHEMBL9408866 0.84 NPC1 (0.40) NPC1RAB9AHTTLMNAPOLB
SCHEMBL508460 0.82 NPC1 (0.62) NPC1RAB9ALMNAPOLBKDM4E
Hydrochloric Acid SCHEMBL8372133 0.81 NPC1 (0.61) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9408798 0.80 NPC1 (0.49) NPC1RAB9AHTTLMNAPOLB
SCHEMBL13808306 0.80 NPC1 (0.49) NPC1RAB9AHTTLMNAPOLB
SCHEMBL9408769 0.79 NPC1 (0.51) NPC1RAB9AHTTLMNAPOLB
SCHEMBL9408834 0.78 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9408808 0.78 NPC1 (0.43) NPC1RAB9ALMNAPOLBKDM4E

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-0593936-A1 N-[2-hydroxy-3-(2H-benzotriazol-2-yl)benzyl]oxamides as light stabilisers ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-27 EP disclosed