SCHEMBL28656155

SCHEMBL28656155

CC(C)(C)c1cc(-c2ncccn2)cc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KIF11 P52732 3/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
RXRA P19793 5/20 0.42
RXRB P28702 5/20 0.42
RXRG P48443 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CLK4 Q9HAZ1 3/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2A6 P11509 1/20 0.35

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
SCHEMBL24197130 0.86 KDM4E (0.50) KDM4EGAAMAPTKIF11S1PR1
SCHEMBL14357355 0.81 KIF11 (0.61) KDM4EKIF11RXRARXRBCLK4
SCHEMBL28427847 0.80 KDM4E (0.52) KDM4EGAAMAPTKIF11S1PR1
SCHEMBL10120033 0.77 KIF11 (0.56) KDM4EMAPTKIF11CLK4ALDH1A1
SCHEMBL19411850 0.75 TRPV1 (0.49) KDM4EMAPTKIF11ALDH1A1KMT2A
SCHEMBL29637960 0.75 TRPV1 (0.49) KDM4EMAPTKIF11ALDH1A1KMT2A
SCHEMBL23959732 0.75 CYP1A1 (0.51) KDM4EGAAMAPTKIF11S1PR1
SCHEMBL4572745 0.74 GABRA1 (0.58) KDM4EGAAMAPTKIF11S1PR1
SCHEMBL13539329 0.74 CYP2A6 (0.48) KDM4ECLK4DYRK1APOLBCYP2A6
SCHEMBL19940392 0.72 KIF11 (0.51) KDM4EKIF11RXRARXRBCLK4

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
CN-113563269-A Material for light-emitting device and electron-transporting layer, organic compound, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2021-10-29 CN disclosed