SCHEMBL30188218

SCHEMBL30188218

COc1ccc2c(C#N)cc(OC)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
NCOA1 Q15788 2/20 0.49
NCOA3 Q9Y6Q9 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NQO1 P15559 1/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
GLA P06280 2/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPT P10636 4/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
CASP1 P29466 4/20 0.44
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
CASP7 P55210 3/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL28059768 1.00 L3MBTL1 (0.49) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL30343916 0.84 IMPDH2 (0.47) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL25156188 0.84 IMPDH2 (0.47) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL8583508 0.82 CYP1A2 (0.50) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL29176679 0.81 CYP1A2 (0.44) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL30344410 0.78 DYRK1A (0.55) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL25155913 0.78 DYRK1A (0.55) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL9560109 0.78 MAOB (0.57) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL27626481 0.77 NQO1 (0.49) L3MBTL1NCOA1NCOA3PPARGNCOA2
SCHEMBL19305540 0.76 L3MBTL1 (0.42) L3MBTL1NCOA1NCOA3PPARGNCOA2

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-110240586-B 2,3-dihydro-1H-benzo [ f ] chroman-2-amine derivatives and their preparation 山东百极地长制药有限公司 2023-01-24 CN disclosed