SCHEMBL28359136

SCHEMBL28359136

COc1ccc(C(=O)CC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.69
MDM2 Q00987 4/20 0.56
MCL1 Q07820 3/20 0.56
BCL2 P10415 2/20 0.56
CHRNA7 P36544 1/20 0.54
MALT1 Q9UDY8 1/20 0.53
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
MARS1 P56192 1/20 0.49

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
SCHEMBL3262361 0.85 CHRNA7 (0.72) RPA1MDM2MCL1BCL2CHRNA7
SCHEMBL3139245 0.82 RPA1 (1.00) RPA1MDM2MCL1BCL2MALT1
SCHEMBL13239857 0.78 RPA1 (0.70) RPA1MDM2MCL1BCL2MALT1
SCHEMBL5134939 0.78 RPA1 (0.70) RPA1MDM2MCL1BCL2CHRNA7
SCHEMBL9056282 0.76 RPA1 (0.90) RPA1MDM2MCL1BCL2CHRNA7
SCHEMBL9349936 0.76 RPA1 (0.70) RPA1MDM2MCL1BCL2CHRNA7
SCHEMBL16203309 0.76 KMT2A (0.68) ALDH1A1LMNATP53
SCHEMBL3144076 0.75 HTR2A (0.67) RPA1
SCHEMBL747850 0.74 NPC1 (0.71) ALDH1A1LMNAHTTTP53
SCHEMBL4197234 0.74 NPC1 (0.71) ALDH1A1LMNAHTTTP53

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-110752303-A Composite material, preparation method thereof and quantum dot light-emitting diode TCL集团股份有限公司 2020-02-04 CN claimed
CN-110752303-B Composite material, preparation method thereof and quantum dot light-emitting diode TCL科技集团股份有限公司 2021-11-23 CN disclosed