SCHEMBL23936013

SCHEMBL23936013

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
GLA P06280 1/20 0.37
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PDK2 Q15119 7/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTSR1 P30989 1/20 0.32
ATM Q13315 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
OPRK1 P41145 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
SCHEMBL23936480 0.96 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23935992 0.95 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23936695 0.93 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23936144 0.92 PDK2 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23935983 0.92 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23935994 0.90 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23936199 0.89 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23936231 0.88 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23936519 0.88 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23935976 0.88 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HPGD

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