SCHEMBL31026323

SCHEMBL31026323

O=[N+]([O-])CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
POLB P06746 1/20 0.77
GAA P10253 7/20 0.61
MGAM O43451 6/20 0.61
SI P14410 6/20 0.61
MGAM2 Q2M2H8 6/20 0.61
MAPT P10636 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GPR84 Q9NQS5 2/20 0.48
CNR1 P21554 5/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 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
SCHEMBL7010866 0.91 MEN1 (0.82) MEN1KMT2APOLBGAAMGAM
SCHEMBL7012422 0.87 MEN1 (0.77) MEN1KMT2APOLBGAAMGAM
SCHEMBL31026318 0.87 MEN1 (0.77) MEN1KMT2APOLBGAAMGAM
SCHEMBL7011766 0.84 KMT2A (0.72) MEN1KMT2APOLBGAAMGAM
SCHEMBL7014720 0.84 MEN1 (0.76) MEN1KMT2APOLBGAAMGAM
SCHEMBL31026321 0.83 MEN1 (0.55) MEN1KMT2APOLBGAAMGAM
SCHEMBL31026330 0.83 MEN1 (0.55) MEN1KMT2APOLBGAAMGAM
SCHEMBL2518589 0.81 MEN1 (0.55) MEN1KMT2APOLBGAAMGAM
SCHEMBL31026324 0.81 MEN1 (0.55) MEN1KMT2APOLBGAAMGAM
SCHEMBL31026312 0.79 KMT2A (0.65) MEN1KMT2APOLBGAAMGAM

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-118420514-A Method for synthesizing 3- (2-nitro-1-aryl) -1H-indole derivative by using cyclopentadienyl titanium/Bronsted acid in synergistic catalysis mode 宁夏师范学院 2024-08-02 CN disclosed