SCHEMBL38659273

SCHEMBL38659273

CC(C)c1ccc(NC(=O)C2CCCN2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.51
▸ RORC P51449 1/20 0.45
▸ TERT O14746 1/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.43
▸ KHK P50053 1/20 0.43
▸ PFKFB3 Q16875 6/20 0.42
▸ PFKFB1 P16118 5/20 0.42
▸ PFKFB2 O60825 4/20 0.42
▸ SCN3A Q9NY46 3/20 0.42
▸ SCN9A Q15858 3/20 0.42
▸ KDR P35968 1/20 0.41
▸ SCN5A Q14524 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL38657934 0.96 PSMB8 (0.48) PSMB8RORCTERTULK1S1PR1
SCHEMBL38658857 0.85 PSMB8 (0.54) PSMB8TERTULK1AAK1KHK
SCHEMBL38657093 0.85 PSMB8 (0.54) PSMB8TERTULK1AAK1KHK
Trifluoroacetic Acid SCHEMBL38658560 0.84 PSMB8 (0.48) PSMB8TERTULK1AAK1KHK
SCHEMBL29640005 0.82 KDR (0.57) PSMB8ULK1KDR
SCHEMBL13256817 0.80 ULK1 (0.53) PSMB8TERTULK1AAK1KHK
SCHEMBL31421815 0.79 ULK1 (0.52) PSMB8TERTULK1AAK1SCN3A
SCHEMBL13256812 0.78 ULK1 (0.53) PSMB8TERTULK1AAK1SCN3A
SCHEMBL9892929 0.77 AR (0.49) PSMB8ULK1KDR
SCHEMBL21026527 0.76 PSMB8 (0.54) PSMB8TERTULK1AAK1PFKFB3

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-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 — — WO disclosed
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