SCHEMBL29772149

SCHEMBL29772149

CCOC(=O)CN1CCN(CCCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 8/20 0.52
LMNA P02545 3/20 0.52
GPR174 Q9BXC1 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 1/20 0.42
ABCC1 P33527 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 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
SCHEMBL29772039 0.95 ALDH1A1 (0.54) ALDH1A1MAPTLMNAGPR174THRB
SCHEMBL29772052 0.94 MAPT (0.55) ALDH1A1MAPTLMNAGPR174THRB
SCHEMBL29772057 0.90 MAPT (0.56) ALDH1A1MAPTLMNAGPR174THRB
SCHEMBL10036407 0.87 ALDH1A1 (0.63) ALDH1A1MAPTLMNAGPR174THRB
SCHEMBL29772064 0.85 HTR4 (0.42) ALDH1A1MAPTLMNAGPR174SMN1; SMN2
SCHEMBL29772143 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGPR174THRB
SCHEMBL31334246 0.83 MAPT (0.61) ALDH1A1MAPTLMNAGPR174THRB
SCHEMBL29772091 0.80 L3MBTL1 (0.41) ALDH1A1MAPTLMNAGPR174TDP1
SCHEMBL29772109 0.80 MAPT (0.60) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL29772099 0.79 L3MBTL1 (0.41) ALDH1A1MAPTLMNAGPR174TDP1

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
CN-114853846-A Androgen receptor degradation agent and application thereof 苏州国匡医药科技有限公司 2022-08-05 CN disclosed