SCHEMBL5280965

SCHEMBL5280965

CCCCCCn1nnc(C)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
HCAR3 P49019 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 1/20 0.33
SMPD1 P17405 4/20 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
SCHEMBL5279279 0.93 SLC9A1 (0.45) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL5280259 0.93 SLC9A1 (0.42) SLC9A1HCAR3ALDH1A1GRM2MAOB
SCHEMBL5285370 0.89 SLC9A1 (0.37) SLC9A1HCAR3ALDH1A1GRM2MAOB
SCHEMBL5277723 0.87 SLC9A1 (0.46) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL5277904 0.85 SLC9A1 (0.42) SLC9A1HCAR3ALDH1A1GRM2
SCHEMBL5279076 0.83 MAOB (0.33) SLC9A1MAOB
SCHEMBL5281801 0.82 SLC9A1 (0.45) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL5274313 0.81 SLC9A1 (0.42) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL5279798 0.81 SLC9A1 (0.42) SLC9A1HCAR3MAPTALDH1A1GRM2
SCHEMBL5279198 0.81 SLC9A1 (0.44) SLC9A1HCAR3MAPTALDH1A1GRM2

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