SCHEMBL23960860

SCHEMBL23960860

CC(C)(C)c1cc(-c2ccccc2)c(-c2ccncc2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
NOTUM Q6P988 1/20 0.47
CSNK1D P48730 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40

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
SCHEMBL16418476 0.81 NOTUM (0.58) NOTUMCSNK1DMAPK11MAPK14KDM4E
SCHEMBL20689903 0.80 KIF11 (0.70) KIF11NOTUMS1PR1S1PR3LMNA
SCHEMBL23960912 0.80 ADORA2A (0.42) KIF11MAPK14S1PR1S1PR3
SCHEMBL26259701 0.78 KIF11 (0.55) KIF11MAPK14S1PR1S1PR3KDM4E
SCHEMBL15853188 0.77 NPC1 (0.37) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL22139798 0.77 BACE1 (0.51) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL23960825 0.76 KIF11 (0.57) KIF11MAPK14S1PR1S1PR3KDM4E
SCHEMBL13203237 0.75 NOTUM (0.61) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL1947214 0.75 NOTUM (0.61) NOTUMKDM4EALDH1A1LMNAMAPT
SCHEMBL5083044 0.75 BACE1 (0.48) ALDH1A1

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-20210332290-A1 ORGANIC LIGHT-EMITTING MATERIAL BASED ON A PLATINUM TETRADENTATE ONCN COMPLEX, PREPARATION METHOD AND APPLICATION THEREOF IN ORGANIC LIGHT-EMITTING DIODES GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2021-10-28 US disclosed