SCHEMBL29153271

SCHEMBL29153271

c1ccc(-c2ccc(N=Nc3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.66
KMT2A Q03164 10/20 0.66
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
HSP90AA1 P07900 3/20 0.66
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 1/20 0.49
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL10349716 0.89 MEN1 (0.73) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL2291265 0.89 MEN1 (0.73) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL3283287 0.87 MEN1 (0.75) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL10017620 0.87 MEN1 (0.75) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL22171083 0.82 ALDH1A1 (0.65) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1405398 0.79 ALDH1A1 (0.71) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1405397 0.79 ALDH1A1 (0.71) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL11891993 0.79 RAB9A (0.66) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL14280920 0.79 RAB9A (0.66) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL12412467 0.79 NPC1 (0.66) MEN1KMT2ANPC1RAB9AHSP90AA1

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
CN-117282454-A Biomass-derived nitrogen-doped carbon nanotube film and preparation method and application thereof 东华大学 2023-12-26 CN disclosed