SCHEMBL4411146

SCHEMBL4411146

CCCCn1nnc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TOP2A P11388 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL4397503 0.94 KMT2A (0.41) KMT2AMEN1TRPV1
SCHEMBL4413802 0.92 TRPV1 (0.43) KMT2ATRPV1
SCHEMBL4411110 0.86
SCHEMBL18723225 0.82 TRPV1 (0.36) KMT2ATRPV1
SCHEMBL18723002 0.81 TRPV1 (0.38) TRPV1
SCHEMBL4408118 0.78 KMT2A (0.40) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL4405209 0.77 TOP2A (0.40) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL4413912 0.77 MAPK1 (0.43) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL4414619 0.77 KMT2A (0.39) KMT2AMEN1TSHRRAB9ANPC1
SCHEMBL3261927 0.77

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