SCHEMBL5277477

SCHEMBL5277477

CCCCCCn1nnc(C#N)c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.43
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HCAR3 P49019 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 6/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.32
ADORA2A P29274 1/20 0.31

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
SCHEMBL5277783 0.93 SLC9A1 (0.40) SLC9A1ALDH1A1MAPK1HCAR3GRM2
SCHEMBL5281408 0.86 SLC9A1 (0.37) SLC9A1ALDH1A1MAPK1KDM4EMAPT
SCHEMBL5273306 0.83 SLC9A1 (0.43) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5280990 0.83 SLC9A1 (0.43) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5279791 0.83 SLC9A1 (0.43) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5280839 0.82 SLC9A1 (0.42) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5275340 0.82 SLC9A1 (0.42) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5278460 0.82 SLC9A1 (0.42) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5280676 0.82 SLC9A1 (0.42) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1
SCHEMBL5280398 0.80 SLC9A1 (0.40) SLC9A1ALDH1A1MAPK1HCAR3CYP19A1

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