SCHEMBL5282197

SCHEMBL5282197

CCCCCCn1nnc(C#N)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
CTSK P43235 1/20 0.32
HCAR3 P49019 1/20 0.32
SMPD1 P17405 4/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 3/20 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
SCHEMBL5273941 0.94 SLC9A1 (0.36) SLC9A1CTSKHCAR3
SCHEMBL5279876 0.90 SLC9A1 (0.38) SLC9A1HCAR3SMPD1MAPT
SCHEMBL5277432 0.88 CTSK (0.33) SLC9A1CTSK
SCHEMBL5280981 0.87 SLC9A1 (0.40) SLC9A1HCAR3SMPD1CNR1CNR2
SCHEMBL5284304 0.85 SLC9A1 (0.39) SLC9A1HCAR3SMPD1MAPTCYP19A1
SCHEMBL5276912 0.84 SLC9A1 (0.36) SLC9A1CTSKHCAR3
SCHEMBL5273266 0.83 SLC9A1 (0.38) SLC9A1HCAR3CYP19A1
SCHEMBL5282964 0.81 CYP11B2 (0.33) SLC9A1CTSK
SCHEMBL5276730 0.80 SLC9A1 (0.37) SLC9A1HCAR3CNR1CNR2
SCHEMBL5278460 0.80 SLC9A1 (0.42) SLC9A1HCAR3SMPD1MAPTCYP19A1

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