SCHEMBL23935993

SCHEMBL23935993

CC1(C)c2ccccc2-c2ccccc2C1(c1ccccc1)c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ATM Q13315 2/20 0.43
WHR1 P49842 1/20 0.41
CYP1A2 P05177 8/20 0.37
CYP3A4 P08684 8/20 0.37
NR1I3 Q14994 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2B6 P20813 2/20 0.37
AHR P35869 2/20 0.37
VDR P11473 1/20 0.37
NUDT1 P36639 3/20 0.36
ADORA2A P29274 2/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 5/20 0.35
CYP2C19 P33261 5/20 0.35
CLK4 Q9HAZ1 5/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 2/20 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
SCHEMBL23936609 0.91 ATM (0.51) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL23936197 0.85 L3MBTL1 (0.38) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL23936617 0.84 KDM4E (0.42) MEN1KMT2AATMMAPK1LMNA
SCHEMBL23936717 0.83 MEN1 (0.53) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL23936277 0.83 MEN1 (0.50) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL23936200 0.83 L3MBTL1 (0.36) MEN1KMT2AATMCYP1A2CYP2C9
SCHEMBL23936112 0.82 MEN1 (0.51) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL23936381 0.81 MEN1 (0.50) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL23936659 0.80 KDM4E (0.43) MEN1KMT2AATMMAPTLMNA
SCHEMBL19293809 0.80 MEN1 (0.46) MEN1KMT2AATMWHR1CYP1A2

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