SCHEMBL5283619

SCHEMBL5283619

CCn1nnc(Cl)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
CYP19A1 P11511 1/20 0.30
CYP11B2 P19099 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
SCHEMBL5278378 0.85 SLC9A1 (0.36) SLC9A1
SCHEMBL5281175 0.82 SLC9A1 (0.39) SLC9A1CYP19A1
SCHEMBL5278288 0.79 SLC9A1 (0.42) SLC9A1CYP19A1
SCHEMBL5281303 0.78 ALDH1A1 (0.33) SLC9A1NPC1CYP11B2
SCHEMBL5280310 0.78 CYP11B2 (0.34) SLC9A1NPC1CYP11B2
SCHEMBL5281690 0.76 MAOA (0.34) SLC9A1NPC1CYP11B2
SCHEMBL5274087 0.76 SLC9A1 (0.32) SLC9A1NPC1CYP11B2
SCHEMBL5277792 0.76 GRM2 (0.36) SLC9A1NPC1CYP11B2
SCHEMBL5276632 0.76 SLC9A1 (0.30) SLC9A1
SCHEMBL5284267 0.73 MAOA (0.36) SLC9A1NPC1CYP19A1

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