SCHEMBL4413181

SCHEMBL4413181

CCCCCc1nnn(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.35
CYP19A1 P11511 3/20 0.34
GPR84 Q9NQS5 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL4403660 0.98 CYP19A1 (0.36) MIFCYP19A1GPR84ALDH1A1CNR1
SCHEMBL4413441 0.94 SIRT1 (0.32) ALDH1A1
SCHEMBL4414809 0.85
SCHEMBL4404052 0.79 FAAH (0.41) MIFCYP19A1GPR84ALDH1A1
SCHEMBL4407677 0.78 FAAH (0.43) MIFCYP19A1GPR84ALDH1A1
SCHEMBL4407270 0.76
SCHEMBL4407054 0.76 MIF (0.35) MIFCYP19A1GPR84ALDH1A1CNR1
SCHEMBL4416343 0.76 MIF (0.35) MIFCYP19A1GPR84ALDH1A1
SCHEMBL4411011 0.76 GPR84 (0.38) MIFGPR84ATM
SCHEMBL4410762 0.76 MIF (0.33) MIFCYP19A1GPR84ALDH1A1NPC1

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