SCHEMBL4416343

SCHEMBL4416343

CCCCCc1nnn(Br)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 6/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4410978 0.98 ALDH1A1 (0.34) MIFGPR84ALDH1A1CYP19A1KCNH2
SCHEMBL4414617 0.94 SIRT1 (0.32) ALDH1A1
SCHEMBL4409297 0.85
SCHEMBL4404052 0.79 FAAH (0.41) MIFGPR84ALDH1A1CYP19A1
SCHEMBL4407677 0.78 FAAH (0.43) MIFGPR84ALDH1A1CYP19A1KCNH2
SCHEMBL4413181 0.76 MIF (0.35) MIFGPR84ALDH1A1CYP19A1
SCHEMBL4407054 0.76 MIF (0.35) MIFGPR84ALDH1A1CYP19A1
SCHEMBL4411011 0.76 GPR84 (0.38) MIFGPR84
SCHEMBL4405663 0.74 KMT2A (0.40)
SCHEMBL4411053 0.74 KMT2A (0.46) GPR84ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed