SCHEMBL5283673

SCHEMBL5283673

CCCCCCn1nnc(C(C)C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
CYP19A1 P11511 6/20 0.33
HCAR3 P49019 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5277861 0.94 SLC9A1 (0.37) SLC9A1HCAR3GRM2
SCHEMBL5277375 0.87 SLC9A1 (0.34) SLC9A1ALDH1A1LMNAGRM2
SCHEMBL5277231 0.80 SLC9A1 (0.31) SLC9A1
SCHEMBL5280990 0.80 SLC9A1 (0.43) SLC9A1CYP19A1HCAR3MAPTALDH1A1
SCHEMBL5277604 0.80 SLC9A1 (0.43) SLC9A1CYP19A1HCAR3MAPTALDH1A1
SCHEMBL5283437 0.79 SLC9A1 (0.38) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5280398 0.79 SLC9A1 (0.40) SLC9A1CYP19A1HCAR3MAPTALDH1A1
SCHEMBL5283614 0.78 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPTALDH1A1
SCHEMBL5274744 0.78 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPTALDH1A1
SCHEMBL5276366 0.78 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPTALDH1A1

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