SCHEMBL5281690

SCHEMBL5281690

CCc1nnn(CC)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
SLC9A1 P19634 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
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
SCHEMBL5284267 0.85 MAOA (0.36) MAOASLC9A1NPC1
SCHEMBL5278441 0.85 SLC9A1 (0.36) SLC9A1
SCHEMBL5276505 0.82 MAOA (0.31) MAOA
SCHEMBL5280521 0.82 SLC9A1 (0.39) SLC9A1
SCHEMBL5280494 0.82 ALDH1A1 (0.37) MAOAHTT
SCHEMBL5276216 0.82 HTT (0.35) MAOAHTT
SCHEMBL5274744 0.79 SLC9A1 (0.42) SLC9A1
SCHEMBL5280310 0.78 CYP11B2 (0.34) MAOASLC9A1NPC1CYP11B2
SCHEMBL5281303 0.78 ALDH1A1 (0.33) SLC9A1NPC1CYP11B2
SCHEMBL5275441 0.78 GLA (0.32) GLAHTTCYP11B2

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