SCHEMBL4406977

SCHEMBL4406977

CC(C)Cn1nnnc1C#N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 1/20 0.33
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL4411123 0.78
SCHEMBL4409406 0.74 CYP1A2 (0.41) MAPTALDH1A1LMNAKMT2A
SCHEMBL4407254 0.72 KMT2A (0.40) MAPTALDH1A1GRM2LMNAKMT2A
SCHEMBL4410876 0.71 MAPK1 (0.43) MAPTALDH1A1CNR2TRPV1GRM2
SCHEMBL12764087 0.71 CYP1A2 (0.48) MAPTALDH1A1CNR2TRPV1GRM2
SCHEMBL4408228 0.70 SLC9A1 (0.39) MAPTALDH1A1LMNAKMT2A
SCHEMBL11767534 0.69 CNR2 (0.41) MAPTALDH1A1CNR2TRPV1GRM2
SCHEMBL4544043 0.69 CNR2 (0.41) MAPTALDH1A1CNR2TRPV1GRM2
SCHEMBL4405543 0.69 CNR2 (0.41) MAPTALDH1A1CNR2TRPV1GRM2
SCHEMBL4408040 0.69 MAPT (0.44) MAPTALDH1A1CNR2TRPV1GRM2

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