SCHEMBL9770254

SCHEMBL9770254

CCOC(=O)N(C(=O)OCC)c1ccc(C#N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
GPR35 Q9HC97 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRM5 P41594 1/20 0.36
KMT2A Q03164 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
SCHEMBL1024869 0.80 PDCD1 (0.42) PDCD1CD274HRH2HRH1MRGPRX4
SCHEMBL286232 0.74 CA12 (0.49) PDCD1CD274L3MBTL1MAPTKMT2A
SCHEMBL1029059 0.73 FFAR1 (0.43) MRGPRX4L3MBTL1MAPTTDP1KMT2A
SCHEMBL15752905 0.72 PDCD1 (0.45) PDCD1CD274HRH2HRH1MRGPRX4
SCHEMBL30088492 0.72 PDCD1 (0.45) PDCD1CD274HRH2HRH1MRGPRX4
SCHEMBL1025410 0.71 PDCD1 (0.42) PDCD1CD274HRH2HRH1GPR35
SCHEMBL1550258 0.70 ALDH1A1 (0.43) MAPTCYP11B1CYP11B2
SCHEMBL1823015 0.70 MIF (0.44) PDCD1CD274HRH2HRH1MRGPRX4
SCHEMBL21911311 0.70 CYP11B1 (0.45) PDCD1CD274L3MBTL1MAPTTDP1
SCHEMBL6883767 0.69 TSHR (0.55) PDCD1CD274L3MBTL1MAPTTDP1

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
US-5004674-A Organic compound which releases a free radical on contact with light rays and a compound which changes in absorption spectra due to free radical in a layer on a support FUJI PHOTO FILM CO., LTD. (JP) 1991-04-02 US disclosed