SCHEMBL25668147

SCHEMBL25668147

c1ccc(-c2ccc3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK10 P53779 5/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PTGER4 P35408 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20906742 1.00 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17932821 1.00 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL3741033 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10353327 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10353262 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL23784952 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL29444815 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12571637 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25668125 0.99 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17755350 0.98 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2

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-20230209998-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-29 US disclosed