SCHEMBL8057713

SCHEMBL8057713

CC[C@H](Nc1ccc(Cl)nn1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.42
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ ATP1A1 P05023 1/20 0.36
▸ ATP1B1 P05026 1/20 0.36

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
SCHEMBL17723351 0.81 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8051390 0.80 GPR55 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21734106 0.75 ATP1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11849300 0.73 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL17723359 0.72 ATP1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22473565 0.71 MEN1 (0.45) ALDH1A1HTTHDAC6MEN1KMT2A
SCHEMBL27412704 0.70 HDAC6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5477982 0.70 JAK2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22394047 0.69 MAPT (0.43) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL31275381 0.69 ALDH1A1 (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-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 — — WO disclosed
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