SCHEMBL31216596

SCHEMBL31216596

COC(CCC1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 6/20 0.49
THRB P10828 1/20 0.47
DPP4 P27487 1/20 0.43
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL29772108 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3216240 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3201980 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL25845426 0.82 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29772056 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL31216628 0.81 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL27194314 0.81 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL23783030 0.80 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL31216639 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29772106 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMAPTTHRB

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-2024208256-A1 TARGETED PROTEIN DEGRADATION COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海汇伦医药股份有限公司 2024-10-10 WO disclosed