SCHEMBL31363518

SCHEMBL31363518

CC(C)(C)OC(=O)Nc1ccc(I)c2c1OCC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.33
CYP17A1 P05093 2/20 0.33
AAK1 Q2M2I8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
METAP1 P53582 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
PSMB8 P28062 1/20 0.32
PRKDC P78527 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ELANE P08246 1/20 0.31
CTRB1 P17538 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
SCHEMBL25907603 0.85 CYP17A1 (0.37) BRD9CYP17A1AAK1RXFP1METAP1
SCHEMBL30050908 0.85 AAK1 (0.36) BRD9CYP17A1AAK1RXFP1METAP1
SCHEMBL24822119 0.85 AAK1 (0.36) BRD9CYP17A1AAK1RXFP1METAP1
SCHEMBL31304965 0.82 GPR119 (0.32) BRD9CYP17A1AAK1RXFP1METAP1
SCHEMBL29208185 0.82 ATR (0.42) BRD9AAK1RXFP1POLBGAA
SCHEMBL31304930 0.81 RXFP1 (0.33) BRD9CYP17A1AAK1RXFP1METAP1
SCHEMBL25909101 0.80 CYP17A1 (0.37) BRD9CYP17A1RXFP1METAP1CA12
SCHEMBL30050648 0.78 AAK1 (0.38) BRD9AAK1KCNQ4KCNQ5LMNA
SCHEMBL24822117 0.78 AAK1 (0.38) BRD9AAK1KCNQ4KCNQ5LMNA
SCHEMBL25909307 0.77 GAA (0.39) CYP17A1AAK1RXFP1METAP1CA12

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed