SCHEMBL23763588

SCHEMBL23763588

CC(C)(C)c1ccc2c(c1)c1c3c(c4c5cc(C(C)(C)C)ccc5n5c4c1n1c4ccc6c7ccccc7oc6c4nc51)n1c4ccc5c6ccccc6oc5c4nc1n23

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
KIF11 P52732 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL23763735 0.88 PGR (0.30) PGRRORARORCRORB
SCHEMBL23763736 0.87 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPGR
SCHEMBL23763560 0.81 ALDH1A1 (0.34) PIK3CDPIK3CAPIK3CBPIK3CGPGR
SCHEMBL23763621 0.81 ALOX5 (0.40) PIK3CDPIK3CBALDH1A1MAPT
SCHEMBL23763514 0.79 ALDH1A1 (0.32) PIK3CDPIK3CAPIK3CBPIK3CGPGR
SCHEMBL23763566 0.77 TNKS (0.38) PGRRORARORCRORBKIF11
SCHEMBL23763561 0.76 PGR (0.30) PGRRORARORCRORB
SCHEMBL23763425 0.75 NR1H4 (0.38) PGRRORARORCRORBALDH1A1
SCHEMBL25682005 0.75 KIF11 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPGR
SCHEMBL23763499 0.74 ALDH1A1 (0.39) PGRRORARORCRORBKDM4E

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
EP-3865486-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2021-08-18 EP disclosed