SCHEMBL17263284

SCHEMBL17263284

COC(=O)c1nccnc1-c1cc2c(cc1C)-c1ccccc1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TDP2 O95551 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGA4 P13612 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL17263276 0.79 PDK2 (0.33) PDK2ALDH1A1KDM4E
SCHEMBL17263271 0.77 L3MBTL1 (0.45) L3MBTL1AKT1ALDH1A1HPGDTDP2
SCHEMBL18571628 0.76 PDK2 (0.38) PDK2L3MBTL1TDP2KDM4EMAPT
SCHEMBL17263267 0.75 CYP1A2 (0.35) PDK2
SCHEMBL12320586 0.72 CYP2A6 (0.40) L3MBTL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL26631826 0.70 ALDH1A1 (0.47) PDK2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29879506 0.70 ALDH1A1 (0.47) PDK2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL17263270 0.70 ALPL (0.41) L3MBTL1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL18571287 0.70 KDM4E (0.44) PDK2L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL14495844 0.70 NQO2 (0.33) PDK2MAPTSMN1; SMN2

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
US-9187689-B2 Organometallic complex and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-17 US disclosed