SCHEMBL23936000

SCHEMBL23936000

CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc4c(ccc5ccccc54)nc3-c3ccccc3)ccc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
MAOA P21397 1/20 0.35
DHODH Q02127 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.34
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 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
SCHEMBL23936431 0.94 KDM4E (0.39) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23936344 0.94 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23936089 0.91 KDM4E (0.40) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23936170 0.90 KDM4E (0.34) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23935995 0.87 KDM4E (0.39) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23935979 0.83 TDP1 (0.51) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23935978 0.83 TDP1 (0.51) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL14211981 0.82 KMT2A (0.46) KDM4EALDH1A1L3MBTL1KMT2AATM
SCHEMBL23936122 0.82 KDM4E (0.35) KDM4EALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL23935965 0.81 KMT2A (0.38) KDM4EALDH1A1L3MBTL1KMT2AATM

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