SCHEMBL9968137

SCHEMBL9968137

CC(C)c1nc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1c1cnc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc1n2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLK1 P53350 2/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAT2A P31153 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9968051 0.80 KDM4E (0.42) PLK1ALDH1A1GAAMAT2AKDM4E
SCHEMBL9968151 0.75 ALDH1A1 (0.36) SMN1; SMN2PLK1ALDH1A1GAAKDM4E
SCHEMBL17463373 0.70 L3MBTL1 (0.47) ALDH1A1KDM4EATML3MBTL1POLB
SCHEMBL9968055 0.69 CDK4 (0.49) CYP1A2KDM4EATML3MBTL1
SCHEMBL17463377 0.68 CDK4 (0.37) ALDH1A1KDM4EATML3MBTL1
SCHEMBL9968054 0.64 CDK4 (0.40) ALDH1A1KDM4EATML3MBTL1
SCHEMBL17463354 0.64 L3MBTL1 (0.46) ALDH1A1KDM4EATML3MBTL1POLB
SCHEMBL9968178 0.63 CDK4 (0.44) KDM4EATML3MBTL1
SCHEMBL17463360 0.62 CDK4 (0.41) KDM4EATML3MBTL1
SCHEMBL17463154 0.61 KDM4E (0.49) SMN1; SMN2NPSR1ALDH1A1MAT2AKDM4E

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed