SCHEMBL25920074

SCHEMBL25920074

CCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccc(-n5c6ccc(C)cc6c6cc(CCCCCC)ccc65)cc4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.42
RORC P51449 2/20 0.42
RORB Q92753 2/20 0.42
HSD11B1 P28845 3/20 0.36
PGR P06401 2/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
GPR3 P46089 1/20 0.35
CNR2 P34972 2/20 0.35
RARB P10826 2/20 0.35
PTPN1 P18031 1/20 0.34
ICMT O60725 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL25919845 0.90 AKR1C4 (0.39) RORARORCRORBHSD11B1PGR
SCHEMBL25919850 0.90 RORA (0.39) RORARORCRORBHSD11B1PGR
SCHEMBL15165494 0.87 RORA (0.44) RORARORCRORBHSD11B1CTSV
SCHEMBL25919772 0.86 EP300 (0.39) RORARORCRORBHSD11B1PGR
SCHEMBL20313194 0.83 RORA (0.45) RORARORCRORBHSD11B1CTSV
SCHEMBL23372135 0.83 RORA (0.54) RORARORCRORBHSD11B1PGR
SCHEMBL13323477 0.83 RORA (0.45) RORARORCRORBHSD11B1PGR
SCHEMBL18707415 0.83 RORA (0.42) RORARORCRORBHSD11B1PGR
SCHEMBL15480196 0.82 RORA (0.39) RORARORCRORBHSD11B1CTSV
SCHEMBL26480934 0.81 L3MBTL1 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1

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-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed