SCHEMBL31026317

SCHEMBL31026317

Cc1ccc(C(C[N+](=O)[O-])c2c[nH]c3cccc(C)c23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 2/20 0.54
CNR1 P21554 6/20 0.49
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
GPR84 Q9NQS5 1/20 0.40
NPC1 O15118 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 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
SCHEMBL7012422 0.82 MEN1 (0.77) MEN1KMT2APOLBCNR1MAPT
SCHEMBL31026318 0.82 MEN1 (0.77) MEN1KMT2APOLBCNR1MAPT
SCHEMBL31026331 0.78 MEN1 (0.59) MEN1KMT2APOLBCNR1MAPT
SCHEMBL31026324 0.74 MEN1 (0.55) MEN1KMT2APOLBCNR1MAPT
SCHEMBL7010866 0.72 MEN1 (0.82) MEN1KMT2APOLBCNR1MAPT
SCHEMBL31026330 0.71 MEN1 (0.55) MEN1KMT2APOLBCNR1MAPT
SCHEMBL31026323 0.70 MEN1 (0.77) MEN1KMT2APOLBCNR1MAPT
SCHEMBL7011766 0.70 KMT2A (0.72) MEN1KMT2APOLBCNR1MAPT
SCHEMBL2075086 0.69 SLC6A4 (0.69) KMT2AKDM4EHTTLMNAALDH1A1
SCHEMBL31026313 0.68 CNR1 (0.78) MEN1KMT2ACNR1MAPTNPSR1

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