SCHEMBL9968262

SCHEMBL9968262

CC(C)(C)c1ncc2c3cc([Si](C)(c4ccc5c(c4)c4cnc(C(C)(C)C)nc4n5-c4ccccc4)c4ccc5c(c4)c4cnc(C(C)(C)C)nc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GSK3B P49841 1/20 0.32
CDK4 P11802 2/20 0.31
CDK6 Q00534 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
TEAD1 P28347 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 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
SCHEMBL1200046 0.75 KDM4E (0.47) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL9968246 0.75 KDM4E (0.36) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL25648191 0.72 KDM4E (0.56) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL9968227 0.71 CNR2 (0.32) ALDH1A1MAPK1MEN1CASP1CASP7
SCHEMBL9968149 0.70 GSK3B (0.33) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL19368315 0.69 KDM4E (0.50) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL9968272 0.69 ALDH1A1 (0.36) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL10316458 0.69 L3MBTL1 (0.47) ALDH1A1MAPK1KDM4EL3MBTL1KMT2A
SCHEMBL26771980 0.69 KDM4E (0.51) ALDH1A1MAPK1KDM4EL3MBTL1MEN1
SCHEMBL9968248 0.68 PGR (0.34) ALDH1A1MAPK1KDM4EL3MBTL1MEN1

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