SCHEMBL23936274

SCHEMBL23936274

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.35
MAPT P10636 6/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PGR P06401 1/20 0.34
TSHR P16473 2/20 0.34
HCRTR1 O43613 1/20 0.34
PTGER4 P35408 1/20 0.34
HTT P42858 2/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TTR P02766 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL23935957 0.94 MMP12 (0.38) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23936248 0.93 KMT2A (0.38) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL15501747 0.91 HCRTR1 (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23936124 0.90 MMP12 (0.35) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23936084 0.90 AHR (0.32) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23935959 0.90 AHR (0.33) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL21156688 0.89 AHR (0.41) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23936267 0.88 TERT (0.34) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL22059159 0.88 HCRTR1 (0.37) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23936724 0.88 MMP12 (0.34) AHRMAPTKMT2AMEN1ALDH1A1

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