SCHEMBL23936840

SCHEMBL23936840

CC1(C)c2ccccc2-c2ccccc2C1(c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1)c1cccc2c1sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
WHR1 P49842 1/20 0.33
ALOX5 P09917 1/20 0.33
NUDT1 P36639 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ADORA2A P29274 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
ACP1 P24666 3/20 0.30
CYP1A2 P05177 2/20 0.30
PDE5A O76074 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 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
SCHEMBL23936826 0.92 ALOX5 (0.37) MEN1KMT2AATMALOX5MAPT
SCHEMBL23936757 0.90 TDP1 (0.36) MEN1KMT2AATMALOX5MAPT
SCHEMBL23936609 0.86 ATM (0.51) MEN1KMT2AATMWHR1NUDT1
SCHEMBL23936753 0.81 MEN1 (0.42) MEN1KMT2AATMWHR1NUDT1
SCHEMBL23935993 0.79 MEN1 (0.43) MEN1KMT2AATMWHR1NUDT1
SCHEMBL23936242 0.79 ALOX5 (0.40) MEN1KMT2AATMWHR1ALOX5
SCHEMBL23936018 0.79 ALOX5 (0.40) MEN1KMT2AATMWHR1ALOX5
SCHEMBL23606689 0.79 MEN1 (0.57) MEN1KMT2AATMWHR1ALOX5
SCHEMBL22880519 0.79 MEN1 (0.53) MEN1KMT2AATMWHR1ALOX5
SCHEMBL23936292 0.78 ALOX5 (0.39) MEN1KMT2AATMALOX5MAPT

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