SCHEMBL4407375

SCHEMBL4407375

CCCCCc1nnn(C(Cl)(Cl)C(Cl)(Cl)Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.32
MIF P14174 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
CYP19A1 P11511 3/20 0.31
GPR84 Q9NQS5 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 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
SCHEMBL4403753 0.98 GGPS1 (0.33) GGPS1MIFNPC1RAB9AATM
SCHEMBL4408208 0.95 GGPS1 (0.31) GGPS1
SCHEMBL4414685 0.88
SCHEMBL4410762 0.86 MIF (0.33) MIFNPC1RAB9AATMCYP19A1
SCHEMBL4407891 0.85 ALDH1A1 (0.35) MIFNPC1RAB9AATMCYP19A1
SCHEMBL4405651 0.81 GABRA2 (0.30) GABRA2GABRB2
SCHEMBL4405497 0.81 MIF (0.33) MIFGPR84
SCHEMBL4405828 0.80
SCHEMBL4409256 0.79 GABRA2 (0.34) MIFGPR84GABRA2GABRB2
SCHEMBL4407156 0.79 MIF (0.33) MIFCYP19A1GPR84

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