SCHEMBL5277451

SCHEMBL5277451

CCCCCCn1nnc(C(Cl)(Cl)Cl)c1CC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
HCAR3 P49019 1/20 0.33
SMPD1 P17405 4/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.31
TOP2A P11388 1/20 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
SCHEMBL5282856 0.93 SLC9A1 (0.39) SLC9A1HCAR3GRM2TOP2A
SCHEMBL5286975 0.89 SLC9A1 (0.39) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5279677 0.89 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5279766 0.89 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5275778 0.88 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5275986 0.86 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL5275329 0.85 SLC9A1 (0.43) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5276843 0.85 SLC9A1 (0.38) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5282523 0.84 SLC9A1 (0.42) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5278300 0.83 SLC9A1 (0.44) SLC9A1HCAR3SMPD1MAPTALDH1A1

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