SCHEMBL28323294

SCHEMBL28323294

O=[N+]([O-])c1ccccc1[CH]N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
PKM P14618 1/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CTSB P07858 1/20 0.49
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MAPK1 P28482 3/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8533983 0.84 MAPT (0.51) MAPTPKMCYP1A2CYP2C9CTSB
SCHEMBL8533986 0.84 MAPT (0.51) MAPTPKMCYP1A2CYP2C9CTSB
SCHEMBL27985416 0.75 MAPT (0.58) MAPTPKMCYP1A2CYP2C9CTSB
SCHEMBL2206983 0.73 CTSB (0.68) MAPTPKMCYP1A2CYP2C9CTSB
SCHEMBL30779614 0.73 CTSB (0.68) MAPTPKMCYP1A2CYP2C9CTSB
SCHEMBL14935499 0.70 MAPT (0.69) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL9978289 0.70 MAPT (0.69) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL114440 0.70 MAPT (0.58) MAPTTDP1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11049170 0.70 MAPT (0.69) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6194046 0.70 ALDH1A1 (0.62) MAPTCYP1A2CYP2C9TDP1L3MBTL1

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-105283454-B Quinazoline and azepine quinazoline as RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/MTOR access double inhibitor ASANA BIOSCIENCES, LLC (US) 2019-10-29 CN disclosed