SCHEMBL5280398

SCHEMBL5280398

CCCCCCn1nnc(C#N)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
MAPT P10636 1/20 0.33
CYP19A1 P11511 6/20 0.33
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
GRM2 Q14416 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
SCHEMBL5276344 0.94 SLC9A1 (0.37) SLC9A1HCAR3ALDH1A1MAPK1GRM2
SCHEMBL5281984 0.87 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2
SCHEMBL5280990 0.83 SLC9A1 (0.43) SLC9A1MAPTCYP19A1HCAR3ALDH1A1
SCHEMBL5286196 0.81 SLC9A1 (0.39) SLC9A1MAPTCYP19A1HCAR3
SCHEMBL5318847 0.80 ALDH1A1 (0.31) SLC9A1ALDH1A1
SCHEMBL5273306 0.80 SLC9A1 (0.43) SLC9A1MAPTCYP19A1HCAR3ALDH1A1
SCHEMBL5277477 0.80 SLC9A1 (0.43) SLC9A1MAPTCYP19A1HCAR3ALDH1A1
SCHEMBL5279791 0.80 SLC9A1 (0.43) SLC9A1MAPTCYP19A1HCAR3ALDH1A1
SCHEMBL5283673 0.79 SLC9A1 (0.40) SLC9A1MAPTCYP19A1HCAR3ALDH1A1
SCHEMBL5278460 0.78 SLC9A1 (0.42) SLC9A1MAPTCYP19A1HCAR3ALDH1A1

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