SCHEMBL5282528

SCHEMBL5282528

CCCCCCn1nnc(CCCC)c1C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
MAPT P10636 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
SCHEMBL5276117 0.94 SLC9A1 (0.39) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5276951 0.94 SLC9A1 (0.36) SLC9A1HCAR3
SCHEMBL5276833 0.91 SLC9A1 (0.32) SLC9A1
SCHEMBL5277362 0.90 SLC9A1 (0.40) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5277983 0.88 SLC9A1 (0.36) SLC9A1HCAR3
SCHEMBL5276402 0.88 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5277997 0.86 MLYCD (0.31)
SCHEMBL5282048 0.86 SLC9A1 (0.38) SLC9A1HCAR3
SCHEMBL5285998 0.85 SLC9A1 (0.37) SLC9A1
SCHEMBL5280385 0.84 SLC9A1 (0.43) SLC9A1HCAR3SMPD1MAPT

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