SCHEMBL5282506

SCHEMBL5282506

c1ccc(CC2(Cc3ccccc3)N=NN=N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
MAOA P21397 6/20 0.43
CALM1 P0DP23 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.36
KDM1A O60341 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6002831 0.87 TSHR (0.41) MAOBMAOACALM1TSHRALDH1A1
SCHEMBL6002827 0.87 ALDH1A1 (0.39) MAOBMAOACALM1ALDH1A1LOXL2
SCHEMBL10967375 0.87 MAOA (0.38) MAOBMAOACALM1TSHRALDH1A1
SCHEMBL5280214 0.87 TP53 (0.41) MAOBMAOACALM1TSHRALDH1A1
SCHEMBL5275325 0.83 MMP2 (0.38) MAOBMAOACALM1ALDH1A1TP53
SCHEMBL5278439 0.82 TAAR1 (0.35) MAOBMAOAALDH1A1TP53TRPA1
SCHEMBL5279760 0.82 SLC6A2 (0.35) MAOBMAOATSHRTP53TRPA1
SCHEMBL5282068 0.79 MMP2 (0.49) TP53ALOX12
SCHEMBL5274739 0.78 MMP2 (0.51) TP53ALOX12
SCHEMBL5278331 0.76 MAOA (0.40) MAOBMAOACALM1TSHRALDH1A1

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