SCHEMBL28153447

SCHEMBL28153447

[CH2]c1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.46
MPI P34949 1/20 0.44
ALKBH5 Q6P6C2 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 3/20 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
SCHEMBL19322449 0.77 MAPT (0.53) MAPTLMNAALDH1A1POLBBLM
SCHEMBL3946801 0.76 MAPT (0.56) MAPTLMNAALDH1A1POLBBLM
SCHEMBL34121 0.76 ALDH1A1 (0.68) MAPTLMNAALDH1A1POLBBLM
SCHEMBL3365278 0.76 MAPT (0.56) MAPTLMNAALDH1A1POLBBLM
SCHEMBL5425653 0.76 ALDH1A1 (0.68) MAPTLMNAALDH1A1POLBBLM
SCHEMBL9150171 0.76 ALDH1A1 (0.68) MAPTLMNAALDH1A1POLBBLM
SCHEMBL2085581 0.74 MAPT (0.69) MAPTLMNAALDH1A1POLBBLM
SCHEMBL951472 0.73 ALKBH5 (0.73) MAPTLMNAALDH1A1POLBBLM
Methyl Alcohol SCHEMBL1028813 0.73 MAPT (0.69) MAPTLMNAALDH1A1POLBBLM
SCHEMBL15440041 0.73 MAPT (0.53) MAPTLMNAALDH1A1POLBBLM

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-105061313-B Androgen receptor modulating compounds 奥赖恩公司 2017-07-18 CN disclosed