SCHEMBL9566161

SCHEMBL9566161

CCN(OC)C(C)=NN=C(c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
ALDH1A1 P00352 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 2/20 0.33
AR P10275 1/20 0.33
PTGS1 P23219 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
ENPP2 Q13822 1/20 0.33
FABP2 P12104 1/20 0.33

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
SCHEMBL9566100 0.86 ALDH1A1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9566151 0.85 DRD2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9565958 0.84 DRD2 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8540709 0.81 ENPP1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9175055 0.80 ENPP1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10969416 0.80 GAA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11231034 0.80 GAA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9565985 0.79 CYP11B1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9566056 0.78 CYP11B1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9566039 0.77 ENPP1 (0.35) 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
EP-0566534-A1 Derivatives of benzophenone CIBA-GEIGY AG (CH) 1993-10-20 EP disclosed