SCHEMBL5286756

SCHEMBL5286756

FC(F)(F)C(F)(F)C1(c2ccccc2)N=NN=N1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.32
MAOA P21397 4/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
PNMT P11086 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
SCHEMBL5275595 0.82 MAOB (0.39) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL80368 0.75 KIF11 (0.43) MAOBMAOAALDH1A1TSHROPRM1
SCHEMBL4593434 0.73 TSHR (0.35) MAOBMAOATSHR
SCHEMBL5280778 0.73 TSHR (0.35) MAOBMAOATSHR
SCHEMBL5277372 0.73 OPRM1 (0.35) ALDH1A1OPRM1OPRL1
SCHEMBL9205048 0.71 KCNN4 (0.33) ALDH1A1TSHR
SCHEMBL5277316 0.70 TSHR (0.32) TSHR
SCHEMBL5276808 0.68 MAOA (0.34) MAOBMAOAALDH1A1
SCHEMBL5280804 0.67 MAOB (0.39) MAOBMAOA
SCHEMBL5274311 0.66 OPRM1 (0.33) MAOBMAOAOPRM1OPRL1PNMT

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