SCHEMBL23763572

SCHEMBL23763572

CC(C)(C)c1ccc2c(c1)c1c3c(c4c5cc(C(C)(C)C)ccc5n5c4c1n1c4ccc6sc7ccccc7c6c4nc51)n1c4ccc5sc6ccccc6c5c4nc1n23

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KIF11 P52732 1/20 0.33
APEX1 P27695 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
PMM2 O15305 1/20 0.30
MPI P34949 1/20 0.30
PHOSPHO1 Q8TCT1 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
SCHEMBL23763591 0.87 TNF (0.32) TNKSTNKS2KIF11PGRRORA
SCHEMBL23763566 0.86 TNKS (0.38) TNKSTNKS2KIF11APEX1PGR
SCHEMBL23763745 0.82 TNF (0.33) TNKSTNKS2KIF11APEX1PGR
SCHEMBL23763592 0.82 TNF (0.33) TNKSTNKS2KIF11APEX1PGR
SCHEMBL23763736 0.79 PIK3CD (0.33) KIF11PGRRORARORCRORB
SCHEMBL23763593 0.78 TNKS (0.34) TNKSTNKS2KIF11APEX1PGR
SCHEMBL23763561 0.77 PGR (0.30) PGRRORARORCRORB
SCHEMBL23763425 0.76 NR1H4 (0.38) KIF11PGRRORARORCRORB
SCHEMBL23763499 0.75 ALDH1A1 (0.39) KIF11PGRRORARORCRORB
SCHEMBL25682739 0.74 KIF11 (0.39) KIF11APEX1PGRRORARORC

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