SCHEMBL5279686

SCHEMBL5279686

CCCCn1nnc(CCC)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
GRM2 Q14416 1/20 0.35
TOP2A P11388 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HCAR3 P49019 1/20 0.32
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 4/20 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
SCHEMBL5282456 0.94 SLC9A1 (0.41) SLC9A1GRM2MAPK1RECQLHCAR3
SCHEMBL5274107 0.93 SLC9A1 (0.38) SLC9A1GRM2TOP2AMAPK1HCAR3
SCHEMBL5276840 0.90 SLC9A1 (0.35) SLC9A1GRM2TOP2AMAPK1RECQL
SCHEMBL5280521 0.88 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MAOB
SCHEMBL5275209 0.87 SLC9A1 (0.41) SLC9A1GRM2MAPK1HCAR3MAOB
SCHEMBL5285349 0.87 ALDH1A1 (0.36) SLC9A1GRM2MAPK1MAOBL3MBTL1
SCHEMBL5284267 0.84 MAOA (0.36) SLC9A1MAPK1RECQLALDH1A1CYP19A1
SCHEMBL5279955 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5279166 0.83 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5274744 0.82 SLC9A1 (0.42) SLC9A1GRM2HCAR3ALDH1A1CYP19A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed