SCHEMBL28520871

SCHEMBL28520871

COc1ccc2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
NPSR1 Q6W5P4 4/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28518164 0.82 TSHR (0.52) LMNAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL28513461 0.79 MAPK1 (0.53) LMNAMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL30160665 0.79 MAPK1 (0.53) LMNAMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL28512866 0.79 TSHR (0.46) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL28516403 0.79 GAA (0.50) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28513463 0.76 MAT2A (0.47) LMNAALOX5ALDH1A1NPSR1KDM4E
SCHEMBL11813837 0.75 GRIK1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2GRIK1
SCHEMBL28512956 0.75 CYP19A1 (0.53) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL5442868 0.74 CYP11B2 (0.52) LMNAMAPTALDH1A1SMN1; SMN2GRIK1
SCHEMBL28593371 0.73 KDM4E (0.47) MAPTALDH1A1SMN1; SMN2HPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105359-B Method for synthesizing indene spiro isoindole [2,1-b ] isoquinoline triketone compound 河南师范大学 2021-08-03 CN disclosed
CN-108997339-B Method for synthesizing isoindole [2,1-b ] isoquinoline-7-carboxylic ester compound 河南师范大学 2021-01-29 CN disclosed