SCHEMBL5283641

SCHEMBL5283641

CCCCCCn1nnc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
CNR1 P21554 7/20 0.37
CNR2 P34972 7/20 0.37
HCAR3 P49019 1/20 0.35
SMPD1 P17405 4/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5278592 0.93 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3
SCHEMBL5277091 0.89 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5273180 0.89 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279485 0.89 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5278746 0.89 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5276108 0.86 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5275698 0.86 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5284251 0.86 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5278608 0.86 SLC9A1 (0.39) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5274886 0.85 SLC9A1 (0.38) SLC9A1HCAR3ALDH1A1

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