SCHEMBL5283614

SCHEMBL5283614

CCCCCCn1nnc(Br)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.42
GRM2 Q14416 1/20 0.37
HCAR3 P49019 1/20 0.33
CYP19A1 P11511 6/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMPD1 P17405 2/20 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
SCHEMBL5275874 0.93 GRM2 (0.42) SLC9A1GRM2HCAR3
SCHEMBL5280262 0.86 GRM2 (0.39) SLC9A1GRM2ALDH1A1
SCHEMBL5273306 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5277604 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5280990 0.82 SLC9A1 (0.43) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5274744 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5276366 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5278288 0.81 SLC9A1 (0.42) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5275209 0.79 SLC9A1 (0.41) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5282456 0.79 SLC9A1 (0.41) SLC9A1GRM2HCAR3CYP19A1MAPT

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