SCHEMBL28829653

SCHEMBL28829653

Cn1c(-c2ccccc2)c([N+](=O)[O-])c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
ALDH1A1 P00352 9/20 0.57
NPSR1 Q6W5P4 5/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TLR9 Q9NR96 2/20 0.57
XBP1 P17861 1/20 0.57
PAX8 Q06710 1/20 0.57
HSD17B10 Q99714 3/20 0.53
CYP2C19 P33261 1/20 0.53
ATM Q13315 4/20 0.51
HTT P42858 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.47
NTSR1 P30989 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9505735 0.78 MAPT (0.58) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL29078839 0.74 ALDH1A1 (0.58) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL8069296 0.74 MAPT (0.46) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL8069292 0.74 MAPT (0.46) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL9229616 0.74 ALDH1A1 (0.51) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL3262089 0.73 MAPT (1.00) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL29516939 0.73 MAPT (1.00) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL29084195 0.73 CHRM2 (0.42) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL28181110 0.72 HSD17B10 (0.67) MAPTALDH1A1NPSR1LMNANPC1
SCHEMBL17548633 0.72 MEN1 (0.56) NPC1MEN1KMT2A

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-105601555-A Method for preparing nitroindole derivatives UNIV SOOCHOW 2016-05-25 CN disclosed