SCHEMBL4413189

SCHEMBL4413189

CCCCCCc1nnn(F)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MIF P14174 1/20 0.34
CYP19A1 P11511 4/20 0.33
XDH P47989 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL4407054 0.98 MIF (0.35) ALDH1A1MIFCYP19A1XDHCNR1
SCHEMBL4407812 0.92 SIRT1 (0.32) ALDH1A1XDH
SCHEMBL4403797 0.84
SCHEMBL4407677 0.80 FAAH (0.43) ALDH1A1MIFCYP19A1KCNH2GPR84
SCHEMBL4404052 0.78 FAAH (0.41) ALDH1A1MIFCYP19A1GPR84
SCHEMBL4408985 0.77 GPR84 (0.37) GPR84
SCHEMBL4403660 0.77 CYP19A1 (0.36) ALDH1A1MIFCYP19A1KCNH2CNR1
SCHEMBL4410978 0.77 ALDH1A1 (0.34) ALDH1A1MIFCYP19A1KCNH2GPR84
SCHEMBL4408964 0.77 GABRA2 (0.35) ALDH1A1MIFCYP19A1XDHGPR84
SCHEMBL4412199 0.76 TRPV1 (0.42)

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