SCHEMBL31026329

SCHEMBL31026329

O=[N+]([O-])CC(c1ccccc1Cl)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CNR1 P21554 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
SRC P12931 1/20 0.43
GAA P10253 5/20 0.42
ALDH1A1 P00352 1/20 0.42
GUSB P08236 3/20 0.40
VDR P11473 1/20 0.39
MGAM O43451 4/20 0.38
SI P14410 4/20 0.38
MGAM2 Q2M2H8 4/20 0.38
GPR84 Q9NQS5 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL31026315 0.88 MAPT (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026322 0.86 MAPT (0.56) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026314 0.86 MAPT (0.70) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026321 0.78 MEN1 (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026324 0.78 MEN1 (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL10755594 0.77 GPR84 (0.44) MAPTNPSR1MEN1KMT2APOLB
SCHEMBL31026323 0.75 MEN1 (0.77) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026330 0.74 MEN1 (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL2518589 0.74 MEN1 (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL7010866 0.70 MEN1 (0.82) MAPTNPSR1CNR1MEN1KMT2A

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