SCHEMBL5273306

SCHEMBL5273306

CCCCCCn1nnc(C#N)c1Br

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
GRM2 Q14416 1/20 0.38
HCAR3 P49019 1/20 0.34
TOP2A P11388 1/20 0.33
CYP19A1 P11511 6/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL5279410 0.93 GRM2 (0.43) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5285694 0.86 GRM2 (0.40) SLC9A1GRM2HCAR3TOP2AALDH1A1
SCHEMBL5280990 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5279791 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5277477 0.83 SLC9A1 (0.43) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5280496 0.82 SLC9A1 (0.47) SLC9A1GRM2HCAR3TOP2AMAPT
SCHEMBL5283614 0.82 SLC9A1 (0.42) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5280839 0.82 SLC9A1 (0.42) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5278460 0.82 SLC9A1 (0.42) SLC9A1GRM2HCAR3CYP19A1MAPT
SCHEMBL5275340 0.82 SLC9A1 (0.42) 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