Sugi Predict

Sugi Predict / Compounds / SCHEMBL23763591

SCHEMBL23763591

SCHEMBL23763591

CC(C)(C)c1ccc2c(c1)c1c3c(c4c5cc(C(C)(C)C)ccc5n5c4c1n1c4c(ccc6sc7ccccc7c64)nc51)n1c4c(ccc5sc6ccccc6c54)nc1n23

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ RORA P35398 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ RORB Q92753 1/20 0.31

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
SCHEMBL23763572 0.87 TNKS (0.34) TNFNOD1KIF11TNKSTNKS2
SCHEMBL23763593 0.87 TNKS (0.34) TNFNOD1KIF11TNKSTNKS2
SCHEMBL23763745 0.84 TNF (0.33) TNFNOD1KIF11TNKSTNKS2
SCHEMBL23763592 0.84 TNF (0.33) TNFNOD1KIF11TNKSTNKS2
SCHEMBL23763514 0.80 ALDH1A1 (0.32) KIF11PGRRORARORCRORB
SCHEMBL23763499 0.78 ALDH1A1 (0.39) KIF11PGRRORARORCRORB
SCHEMBL23763731 0.78 HTR1D (0.33) PGRRORARORCRORB
SCHEMBL23763566 0.78 TNKS (0.38) TNFNOD1KIF11TNKSTNKS2
SCHEMBL23763557 0.77 HTR1D (0.34) KIF11PGRRORARORCRORB
SCHEMBL23763733 0.76 PLK4 (0.36) KIF11PGRRORARORCRORB

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