SCHEMBL25879765

SCHEMBL25879765

O=C1C(=O)c2nc3c(=O)c(=O)c(=O)c(=O)c3nc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
ALDH1A1 P00352 2/20 0.57
AHR P35869 1/20 0.57
MAPK1 P28482 2/20 0.51
USP8 P40818 3/20 0.50
USP7 Q93009 1/20 0.50
USP47 Q96K76 1/20 0.50
PTPRC P08575 3/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
APAF1 O14727 2/20 0.46
TDP2 O95551 2/20 0.46
MAOA P21397 2/20 0.46

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
SCHEMBL1705356 0.79 RAB9A (0.88) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL14572516 0.76 RAB9A (0.62) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL824427 0.72 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL24554435 0.69 RAB9A (0.56) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL24529128 0.68 ALDH1A1 (0.53) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL18347632 0.68 ALDH1A1 (0.87) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL8238836 0.68 RAB9A (0.62) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2681287 0.68 RAB9A (0.74) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL22733248 0.68 PTPRC (0.47) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL14572501 0.67 MAPT (0.60) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1

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
US-20230238534-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-27 US disclosed