SCHEMBL14101163

SCHEMBL14101163

CC(=O)Nc1cccc2ccc(/N=N/C(N)=O)c(C)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ NEU3 Q9UQ49 1/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8170889 0.86 MAPT (0.48) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20726340 0.73 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL38666282 0.71 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL21433102 0.71 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL8332038 0.70 KDM4E (0.63) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3201580 0.70 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3513570 0.70 MAPT (0.57) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL28836945 0.69 MAPT (0.53) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11921499 0.69 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL17010325 0.68 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTNPC1

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-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 — — EP disclosed
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