SCHEMBL5284942

SCHEMBL5284942

IC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CALM1 P0DP23 1/20 0.36
KCNH2 Q12809 1/20 0.35
KDM1A O60341 3/20 0.33
TSHR P16473 2/20 0.33
IDO1 P14902 1/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
BACE1 P56817 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
SCHEMBL5282506 0.76 MAOB (0.43) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL6002827 0.74 ALDH1A1 (0.39) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL5282094 0.73 OPRL1 (0.42) MAOAMAOBALDH1A1CALM1KDM1A
SCHEMBL5274344 0.73 MAOA (0.40) MAOAMAOBALDH1A1HPGDCALM1
SCHEMBL5282457 0.73 MAOA (0.40) MAOAMAOBALDH1A1CALM1KDM1A
SCHEMBL3034490 0.73 MAOA (0.40) MAOAMAOBALDH1A1CALM1KDM1A
SCHEMBL5277481 0.73 ELANE (0.40) MAOAMAOBCALM1TSHRTP53
SCHEMBL5278331 0.73 MAOA (0.40) MAOAMAOBALDH1A1CALM1KDM1A
SCHEMBL22032520 0.73 MAOA (0.40) MAOAMAOBALDH1A1HSD17B10CALM1
SCHEMBL9978691 0.73 MAOB (0.40) MAOAMAOBALDH1A1HSD17B10CALM1

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