SCHEMBL23936018

SCHEMBL23936018

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)c4ccccc4n3)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
PARP14 Q460N5 1/20 0.33
MAPT P10636 2/20 0.32
PRKDC P78527 1/20 0.32
CYP1A2 P05177 6/20 0.32
CYP3A4 P08684 6/20 0.32
NR1I3 Q14994 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2B6 P20813 2/20 0.32
AHR P35869 2/20 0.32
VDR P11473 1/20 0.32
POLB P06746 1/20 0.31
WHR1 P49842 1/20 0.31
CYP2D6 P10635 4/20 0.30
CYP2C19 P33261 3/20 0.30
CLK4 Q9HAZ1 3/20 0.30
MAPK1 P28482 2/20 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
SCHEMBL23936242 0.94 ALOX5 (0.40) ALOX5MEN1KMT2AATMPARP14
SCHEMBL23935947 0.86 PARP14 (0.35) ALOX5PARP14MAPTPRKDCCYP1A2
SCHEMBL23936461 0.84 PARP14 (0.35) ALOX5PARP14MAPTPRKDCCYP1A2
SCHEMBL23936292 0.83 ALOX5 (0.39) ALOX5MEN1KMT2AATMPARP14
SCHEMBL23936112 0.82 MEN1 (0.51) MEN1KMT2AATMMAPTCYP1A2
SCHEMBL24275499 0.82 ALOX5 (0.34) ALOX5
SCHEMBL25799332 0.81 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL23936442 0.81 MEN1 (0.44) MEN1KMT2AATMMAPTCYP1A2
SCHEMBL22880123 0.80 MEN1 (0.34) ALOX5MEN1KMT2AATMPRKDC
SCHEMBL25799118 0.79 ALOX5 (0.33) ALOX5PRKDC

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