SCHEMBL31334575

SCHEMBL31334575

CC(C)(C)OC(=O)CC1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
DPP4 P27487 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
SCHEMBL25446993 0.95 ALDH1A1 (0.51) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31333697 0.94 ALDH1A1 (0.49) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL24124687 0.90 ALDH1A1 (0.53) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334755 0.90 ALDH1A1 (0.46) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334687 0.89 MAPT (0.53) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL21786123 0.86 MAPT (0.53) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334849 0.86 DRD2 (0.54) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334092 0.86 ALDH1A1 (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL27178807 0.86 ALDH1A1 (0.48) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31334434 0.85 ACHE (0.43) ALDH1A1MAPTLMNATHRBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed