SCHEMBL4408993

SCHEMBL4408993

CCCn1nnc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 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
SCHEMBL4405825 0.87 TRPV1 (0.38) KMT2AMEN1
SCHEMBL4411062 0.85 TRPV1 (0.40) KMT2A
SCHEMBL4404498 0.83
SCHEMBL4405122 0.74 TRPV1 (0.40) KMT2ALMNA
SCHEMBL4407198 0.74 CNR1 (0.33) KMT2A
SCHEMBL4404308 0.72
SCHEMBL4415088 0.68
SCHEMBL4411127 0.68
SCHEMBL4415295 0.67 RAB9A (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4413961 0.67 RECQL (0.41) KMT2ARECQLMEN1ALDH1A1GAA

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