SCHEMBL5282585

SCHEMBL5282585

CCCCc1nnn(CCCC)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
HCAR3 P49019 2/20 0.35
TOP2A P11388 1/20 0.34
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5273929 0.93 SLC9A1 (0.42) SLC9A1GRM2HCAR3MAOB
SCHEMBL5275908 0.93 SLC9A1 (0.34) SLC9A1GRM2HCAR3MAOB
SCHEMBL5277134 0.93 SLC9A1 (0.39) SLC9A1GRM2HCAR3TOP2AMAOB
SCHEMBL5275309 0.88 NPC1 (0.33) SLC9A1MAOB
SCHEMBL5278024 0.88 SLC9A1 (0.40) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5280756 0.87 SLC9A1 (0.42) SLC9A1GRM2HCAR3
SCHEMBL5288686 0.85 SLC9A1 (0.38) SLC9A1GRM2HCAR3TOP2AHTT
SCHEMBL5279063 0.82 MAOB (0.40) MAOB
SCHEMBL5278453 0.82 SLC9A1 (0.36) SLC9A1GRM2HCAR3TOP2A
SCHEMBL5279139 0.82 SLC9A1 (0.36) SLC9A1GRM2HCAR3TOP2AHTT

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