SCHEMBL25477396

SCHEMBL25477396

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5CCc5ccccc54)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
AVPR2 P30518 2/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
PDE6D O43924 1/20 0.38
HSD17B3 P37058 1/20 0.38
POLB P06746 2/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL24775767 0.90 HPGD (0.49) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL26280748 0.86 HPGD (0.47) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL30409979 0.86 L3MBTL1 (0.48) HPGDL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL16449655 0.86 L3MBTL1 (0.48) HPGDL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL17278647 0.84 HDAC6 (0.42) ADRA2AADRA2BADRA2CHPGDL3MBTL1
SCHEMBL17278516 0.84 KMT2A (0.34) ADRA2AADRA2BADRA2CHPGDKMT2A
SCHEMBL16271062 0.84 L3MBTL1 (0.47) HPGDL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL16449665 0.84 L3MBTL1 (0.47) HPGDL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL2208353 0.84 HPGD (0.46) ADRA2AADRA2BADRA2CHPGDKMT2A
SCHEMBL14595498 0.83 HSD17B3 (0.46) ADRA2AADRA2BADRA2CHPGDKMT2A

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
WO-2023080187-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2023-05-11 WO disclosed