SCHEMBL28079612

SCHEMBL28079612

Cc1cccc2nc(-c3ccccc3)c(C3CCCCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPY5R Q15761 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
PDE10A Q9Y233 4/20 0.42
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LCK P06239 1/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE5A O76074 1/20 0.37
TLR7 Q9NYK1 1/20 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
SCHEMBL28079387 0.84 L3MBTL1 (0.58) TDP1L3MBTL1NPY5RPDE10APOLB
SCHEMBL12578244 0.78 MAPT (0.58) TDP1L3MBTL1MAPTMAPK1RAB9A
SCHEMBL12146715 0.74 TDP1 (0.48) TDP1L3MBTL1NPY5RPDE10APOLB
SCHEMBL12146723 0.74 TDP1 (0.48) TDP1L3MBTL1NPY5RPDE10APOLB
SCHEMBL8802391 0.72 MAPT (0.51) TDP1L3MBTL1MAPTMAPK1RAB9A
SCHEMBL12146721 0.72 TDP1 (0.46) TDP1L3MBTL1NPY5RPDE10ALCK
SCHEMBL1459827 0.72 NPY5R (0.45) TDP1NPY5RMAPTMAPK1RAB9A
SCHEMBL12146725 0.71 TDP1 (0.45) TDP1L3MBTL1NPY5RPDE10ALCK
SCHEMBL1459871 0.71 HRH4 (0.55) TDP1L3MBTL1NPY5RMAPTMAPK1
SCHEMBL14842553 0.70 KDM4E (0.62) TDP1L3MBTL1MAPTMAPK1RAB9A

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
CN-105693632-B A kind of preparation method of polysubstituted quinoxaline derivant 华侨大学 2018-04-17 CN disclosed
CN-105693632-A Preparation method of polysubstitution quinoxalin derivatives 华侨大学 2016-06-22 CN disclosed