SCHEMBL6855945

SCHEMBL6855945

COc1nc(C(=O)NCc2cccc3ccccc23)ccc1-n1cnc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.49
PSEN2 P49810 7/20 0.49
APH1B Q8WW43 7/20 0.49
NCSTN Q92542 7/20 0.49
APH1A Q96BI3 7/20 0.49
PSENEN Q9NZ42 7/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPR142 Q7Z601 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6919937 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852517 0.83 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6919157 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902206 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1671832 0.80 TSHR (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920205 0.80 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155825 0.79 P2RX7 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852596 0.79 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL194977 0.78 P2RX7 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920227 0.78 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed