SCHEMBL31207307

SCHEMBL31207307

COc1c(C(N)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
CTSD P07339 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
AR P10275 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL15671563 1.00 TSHR (0.53) TSHRL3MBTL1MAPTGAATDP1
SCHEMBL29835091 0.89 TSHR (0.45) TSHRL3MBTL1MAPTGAATDP1
SCHEMBL29686473 0.85 TSHR (0.54) TSHRL3MBTL1MAPTGAATDP1
SCHEMBL521662 0.85 TSHR (0.68) TSHRL3MBTL1MAPTGAATDP1
SCHEMBL7111424 0.85 TSHR (0.54) TSHRL3MBTL1MAPTGAATDP1
SCHEMBL1126945 0.84 TSHR (0.53) TSHRL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL18929981 0.84 TSHR (0.45) TSHRL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL11693993 0.84 TSHR (0.53) TSHRL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL16957718 0.83 TSHR (0.51) TSHRL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL15689544 0.83 CTSD (0.65) TSHRL3MBTL1ALDH1A1HTTCTSD

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-118724752-A Tyrosine kinase inhibitor intermediate, preparation method and application thereof 重庆博腾制药科技股份有限公司 2024-10-01 CN disclosed