SCHEMBL29772018

SCHEMBL29772018

O=[N+]([O-])c1ccc(N2CC(CO)C2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 4/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
POLB P06746 1/20 0.50
DPP4 P27487 1/20 0.48
PREP P48147 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CRBN Q96SW2 3/20 0.46

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
SCHEMBL670434 0.86 MAPT (0.69) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL753207 0.84 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4635268 0.81 MAPT (0.61) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1100560 0.81 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL21464265 0.81 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1100600 0.81 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL30615503 0.81 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL18053983 0.80 ALDH1A1 (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL23117813 0.79 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL22466103 0.78 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1

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