SCHEMBL22701449

SCHEMBL22701449

C=C/C=C(/CNC(=O)OC(C)(C)C)N=C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
BCHE P06276 1/20 0.33
KDM4A O75164 1/20 0.33
EPHX1 P07099 1/20 0.33
APLNR P35414 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CTSK P43235 2/20 0.31

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
SCHEMBL22821066 0.79 TDP1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL24890937 0.76 MEN1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL19143260 0.76 MEN1 (0.41) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL24890940 0.76 TDP1 (0.39) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL26026002 0.76 TDP1 (0.39) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL18618241 0.75 TDP1 (0.43) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL19575385 0.74 TDP1 (0.37) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL23367386 0.74 TDP1 (0.37) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL2348040 0.73 TDP1 (0.44) TDP1MAOAMAOBKMT2AMEN1
SCHEMBL21771453 0.73 MAOA (0.39) TDP1MAOAMAOBKMT2AMEN1

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
EP-3280715-B1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE LTD (KY) 2020-11-25 EP disclosed