SCHEMBL4409080

SCHEMBL4409080

CCCn1nnc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL4407458 0.89 DDX3X (0.36) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4405696 0.88 TRPV1 (0.36) KMT2AMEN1
SCHEMBL4403696 0.86 TRPV1 (0.39) KMT2A
SCHEMBL4406039 0.85 LMNA (0.37) RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4407390 0.85 RECQL (0.39) RECQLKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4405408 0.79 CNR1 (0.30)
SCHEMBL4404201 0.79 ALDH1A1 (0.41) RECQLKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4407182 0.77 RECQL (0.39) RECQLKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4409324 0.76 TRPV1 (0.38)
SCHEMBL4407810 0.74 DDX3X (0.39) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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