SCHEMBL6248333

SCHEMBL6248333

CCCCS(=O)(=O)NN1C=CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
KDM4E B2RXH2 3/20 0.34
AR P10275 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PKM P14618 1/20 0.33
GLA P06280 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
SCHEMBL3966813 0.73 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3975062 0.71 RECQL (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6626609 0.70 SLC6A2 (0.34) CHRM2CHRM1DRD2CHRM3DRD3
SCHEMBL3978185 0.69 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6248335 0.68 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15422618 0.68 DRD2 (0.43) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL19436608 0.67 ALDH1A1 (0.46) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL9158087 0.66 ALDH1A1 (0.49) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL9008263 0.64 ALDH1A1 (0.42) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL1198917 0.64 ALDH1A1 (0.36) KDM4ECHRM2CHRM4CHRM5CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 WO disclosed