SCHEMBL23936144

SCHEMBL23936144

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
NTSR1 P30989 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2B P29275 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23936519 0.96 MEN1 (0.41) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936194 0.95 MEN1 (0.40) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936147 0.93 PDK2 (0.41) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936013 0.92 MEN1 (0.38) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936498 0.92 MEN1 (0.41) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936482 0.90 MEN1 (0.38) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23935998 0.89 MEN1 (0.44) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936148 0.88 MEN1 (0.39) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936480 0.88 MEN1 (0.41) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL23936172 0.88 PDK2 (0.43) PDK2MEN1KMT2AALDH1A1MAPT

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