SCHEMBL13999721

SCHEMBL13999721

Cc1ccc(F)cc1NCCNCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEP1B Q16820 1/20 0.37
▸ GUCY1A1 Q02108 1/20 0.37
▸ GUCY1B1 Q02153 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ TDO2 P48775 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
SCHEMBL14000133 0.85 GUCY1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL18622661 0.75 FERMT2 (0.50) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL16502278 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL14000123 0.74 GAA (0.49) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL13999724 0.74 MAOA (0.39) ALDH1A1MAPTPKM
SCHEMBL14000124 0.74 MAOA (0.39) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL8720521 0.73 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL29836137 0.72 ICMT (0.39) ALDH1A1MAPTPKM
SCHEMBL2755845 0.72 MAPT (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL13999720 0.71 MAOA (0.39) MEN1KMT2APKM

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-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 — — EP disclosed
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