SCHEMBL28810980

SCHEMBL28810980

O=CCNc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOA P21397 1/20 0.43
ADRA1D P25100 1/20 0.43
MAOB P27338 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7702093 0.81 ADRB2 (0.47) ALDH1A1HPGDKDM4EMEN1CYP2C9
SCHEMBL11957892 0.75 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMEN1CYP2C9
SCHEMBL5904052 0.74 SMN1; SMN2 (0.56) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL28039342 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMEN1CYP2C9
SCHEMBL2292418 0.74 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMEN1CYP2C9
SCHEMBL8165269 0.73 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EMEN1CYP2C9
SCHEMBL20862099 0.72 MAPT (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL28467589 0.72 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL29411918 0.72 RAB9A (0.45) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL11720410 0.72 MAPT (0.59) ALDH1A1HPGDKDM4EMEN1CYP2C9

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-103772228-A Biphenyl bisamide compound as well as preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-05-07 CN disclosed