SCHEMBL23936292

SCHEMBL23936292

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-c5cccc6c5sc5ccccc56)c5ccccc5n4)ccc3C2(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
PRKDC P78527 1/20 0.32
PARP14 Q460N5 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23936242 0.89 ALOX5 (0.40) ALOX5MEN1KMT2AATMPRKDC
SCHEMBL23936018 0.83 ALOX5 (0.40) ALOX5MEN1KMT2AATMPRKDC
SCHEMBL23936717 0.83 MEN1 (0.53) MEN1KMT2AATMKDM4ELMNA
SCHEMBL23936297 0.81 MEN1 (0.46) MEN1KMT2AATMKDM4ELMNA
SCHEMBL23936202 0.79 ALDH1A1 (0.33) ALOX5MEN1KMT2AATMKDM4E
SCHEMBL23936477 0.79 MEN1 (0.43) MEN1KMT2AATMLMNATP53
SCHEMBL23032716 0.78 ALOX5 (0.44) ALOX5MEN1KMT2AATMPRKDC
SCHEMBL24275023 0.78 ALOX5 (0.41) ALOX5MEN1KMT2AATMPRKDC
SCHEMBL23935986 0.78 ALDH1A1 (0.36) ALOX5MEN1KMT2AATMKDM4E
SCHEMBL23231947 0.78 ABCG2 (0.44) ALOX5MEN1KMT2AATMCYP1A2

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