SCHEMBL31026322

SCHEMBL31026322

Cc1ccc2[nH]cc(C(C[N+](=O)[O-])c3ccccc3Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CNR1 P21554 8/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
VDR P11473 1/20 0.39

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
SCHEMBL31026329 0.86 MAPT (0.53) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026314 0.86 MAPT (0.70) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026331 0.82 MEN1 (0.59) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026330 0.78 MEN1 (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL7012422 0.75 MEN1 (0.77) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026318 0.75 MEN1 (0.77) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026324 0.74 MEN1 (0.55) MAPTNPSR1CNR1MEN1KMT2A
SCHEMBL31026328 0.71 CNR1 (0.74) 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