SCHEMBL22869047

SCHEMBL22869047

CC1(C)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)c3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
WHR1 P49842 1/20 0.41
NUDT1 P36639 3/20 0.37
ADORA2A P29274 2/20 0.37
ACACA Q13085 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABCB1 P08183 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDK1 Q15118 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
USP2 O75604 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
SCHEMBL22868655 0.91 MEN1 (0.50) MEN1KMT2AATMWHR1NUDT1
SCHEMBL22868658 0.88 MEN1 (0.41) MEN1KMT2AATMWHR1NUDT1
SCHEMBL22869040 0.86 MEN1 (0.39) MEN1KMT2AATMWHR1NUDT1
SCHEMBL22868925 0.85 MEN1 (0.49) MEN1KMT2AATMWHR1NUDT1
SCHEMBL19196055 0.84 ATM (0.50) MEN1KMT2AATMWHR1NUDT1
SCHEMBL17863020 0.84 MEN1 (0.50) MEN1KMT2AATMWHR1NUDT1
SCHEMBL23606695 0.83 ATM (0.56) MEN1KMT2AATMWHR1NUDT1
SCHEMBL18455709 0.83 MEN1 (0.52) MEN1KMT2AATMWHR1NUDT1
SCHEMBL24149918 0.83 ATM (0.52) MEN1KMT2AATMWHR1NUDT1
SCHEMBL22880561 0.83 MEN1 (0.43) MEN1KMT2AATMWHR1NUDT1

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-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed