SCHEMBL31334845

SCHEMBL31334845

CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])cc2F)C(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ THRB P10828 2/20 0.37
▸ GPR119 Q8TDV5 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29197802 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30120371 0.83 NR1H2 (0.43) ALDH1A1MAPTGPR119KMT2AGAA
SCHEMBL31701825 0.82 ALDH1A1 (0.43) ALDH1A1MAPTLMNATHRBCCNT1
SCHEMBL30207477 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNATHRBCDK9
SCHEMBL23783392 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNATHRBCDK9
SCHEMBL30255499 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL29535433 0.80 PDK4 (0.51) ALDH1A1MAPTLMNACCNT1CDK9
SCHEMBL10036179 0.80 PDK4 (0.51) ALDH1A1MAPTLMNACCNT1CDK9
SCHEMBL31333475 0.78 DRD2 (0.44) ALDH1A1MAPTGPR119KMT2ASMN1; SMN2
SCHEMBL31029069 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNATHRBGPR119

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
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