SCHEMBL23935972

SCHEMBL23935972

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
PDK2 Q15119 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTRC Q99895 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NTSR1 P30989 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL26438212 0.97 PDK2 (0.42) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL26438224 0.96 PDK2 (0.43) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL26438216 0.94 PDK2 (0.43) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL26438228 0.94 PDK2 (0.43) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL26438223 0.93 PDK2 (0.41) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL23936163 0.93 MEN1 (0.43) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL23936256 0.93 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL26438260 0.92 PDK2 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL23936101 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL23936692 0.91 PDK2 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT

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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed