SCHEMBL30729936

SCHEMBL30729936

COc1cccc(Sc2ccccc2Br)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.49
PDE7B Q9NP56 2/20 0.48
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL27184243 1.00 PDE7A (0.49) PDE7APDE7BTDP1ALDH1A1L3MBTL1
SCHEMBL29279445 0.89 TDP1 (0.52) PDE7ATDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL31549911 0.81 TDP1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL103199 0.81 TDP1 (0.53) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL15778388 0.76 TDP1 (0.49) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL27184251 0.75 DHFR (0.43) TDP1ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL1961457 0.75 TDP1 (0.63) TDP1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL1341300 0.72 ALDH1A1 (0.66) PDE7ATDP1ALDH1A1L3MBTL1LMNA
Methyl Alcohol SCHEMBL27781923 0.71 TDP1 (0.59) TDP1ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL20489366 0.71 TDP1 (0.53) TDP1ALDH1A1L3MBTL1LMNAKDM4E

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-117624209-A Organic electroluminescent material and device 环球展览公司 2024-03-01 CN disclosed