SCHEMBL29360591

SCHEMBL29360591

CC(C)(C)c1cccc2c1[nH]c1c(C(C)(C)C)cccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.74
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G7 Q13093 1/20 0.36
AHR P35869 1/20 0.34
PARP1 P09874 2/20 0.34

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
SCHEMBL19893735 1.00 KIF11 (0.74) KIF11CA2GABRA1GABRB2ALDH1A1
SCHEMBL29361061 0.86 KIF11 (1.00) KIF11GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3866477 0.86 KIF11 (1.00) KIF11GABRA1GABRB2ALDH1A1TSHR
SCHEMBL23917880 0.85 KIF11 (0.62) KIF11CA2ALDH1A1TSHRTDP1
SCHEMBL26164156 0.85 KIF11 (0.62) KIF11CA2GABRA1GABRB2ALDH1A1
SCHEMBL29931435 0.84 KIF11 (0.96) KIF11GABRA1GABRB2ALDH1A1TSHR
Water SCHEMBL28120324 0.82 KIF11 (0.93) KIF11GABRA1GABRB2ALDH1A1TSHR
SCHEMBL21849310 0.81 AHR (0.60) KIF11CA2GABRA1GABRB2ALDH1A1
SCHEMBL27954019 0.81 KIF11 (0.90) KIF11GABRA1GABRB2ALDH1A1TSHR
SCHEMBL17811241 0.80 KIF11 (0.56) KIF11CA2GABRA1GABRB2ALDH1A1

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111725434-B Organic electroluminescent device 三星显示有限公司 2024-12-06 CN disclosed
CN-118923232-A Organic electroluminescent device 三星显示有限公司 2024-11-08 CN disclosed
CN-118891257-A Organic molecules for optoelectronic devices 三星显示有限公司 2024-11-01 CN disclosed
CN-114702480-B Organic molecules, in particular for optoelectronic devices 三星显示有限公司 2024-10-18 CN disclosed
CN-118660895-A Organic molecules useful in optoelectronic devices 三星显示有限公司 2024-09-17 CN disclosed
CN-118632844-A Organic molecules for optoelectronic devices 三星显示有限公司 2024-09-10 CN disclosed
CN-111048697-B Organic electroluminescent blue light emitting device 三星显示有限公司 2024-08-20 CN disclosed
CN-110357806-B Organic molecules, in particular for optoelectronic devices 三星显示有限公司 2024-04-02 CN disclosed
CN-109422674-B Organic molecules, in particular for optoelectronic devices 三星显示有限公司 2024-03-22 CN disclosed
CN-110997634-B Organic molecules, in particular for optoelectronic devices 三星显示有限公司 2024-01-26 CN disclosed
WO-2022058520-A1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2022-03-24 WO disclosed
WO-2022058524-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING GREEN LIGHT CYNORA GMBH (DE) 2022-03-24 WO disclosed
WO-2022058513-A1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2022-03-24 WO disclosed
WO-2022058523-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT CYNORA GMBH (DE) 2022-03-24 WO disclosed
WO-2022058501-A1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2022-03-24 WO disclosed
WO-2022058507-A1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2022-03-24 WO disclosed
CN-114180516-A Hydrogen storage material and preparation method thereof 株洲铂陆新能源科技有限公司 2022-03-15 CN disclosed
WO-2022018175-A1 ORGANIC TRIAZINE CONTAINING MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-01-27 WO disclosed
WO-2022018182-A1 LIGHT-EMITTING TRIAZINE DERIVATIVES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-01-27 WO disclosed
WO-2022018179-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-01-27 WO disclosed