SCHEMBL5276808

SCHEMBL5276808

FC(F)(F)C(F)(F)C1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ACE P12821 2/20 0.33
ECE1 P42892 1/20 0.33
CES1 P23141 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CPA1 P15085 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CALM1 P0DP23 1/20 0.30

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
SCHEMBL5277548 0.85 MAOA (0.36) MAOAMAOBNR1H2NR1H3ALDH1A1
SCHEMBL5275281 0.77 MAOA (0.36) MAOAMAOBALDH1A1MAPTCALM1
SCHEMBL5280734 0.77 SLC6A2 (0.38) MAOAMAOBMAPTCALM1
SCHEMBL5279531 0.74 MAOA (0.34) MAOAMAOBCALM1
SCHEMBL5282457 0.70 MAOA (0.40) MAOAMAOBALDH1A1CALM1
SCHEMBL5282506 0.69 MAOB (0.43) MAOAMAOBALDH1A1CALM1
SCHEMBL5286756 0.68 MAOB (0.32) MAOAMAOBALDH1A1
SCHEMBL9978691 0.66 MAOB (0.40) MAOAMAOBALDH1A1CALM1
SCHEMBL5277481 0.66 ELANE (0.40) MAOAMAOBGAACALM1
SCHEMBL22032520 0.66 MAOA (0.40) MAOAMAOBALDH1A1CALM1

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-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed