SCHEMBL5280775

SCHEMBL5280775

CCCCc1nnn(CCCC)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.42
MAOB P27338 1/20 0.41
GRM2 Q14416 1/20 0.38
TOP2A P11388 1/20 0.36
HCAR3 P49019 2/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
GRIA4 P48058 1/20 0.30
HSD11B1 P28845 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5282929 0.94 SLC9A1 (0.41) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5279151 0.94 SLC9A1 (0.41) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5281801 0.93 SLC9A1 (0.45) SLC9A1MAOBGRM2HCAR3MAOA
SCHEMBL5282446 0.92 MAOB (0.41) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5276051 0.91 SLC9A1 (0.41) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL9944053 0.91 SLC9A1 (0.44) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5277834 0.91 SLC9A1 (0.41) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5276362 0.89 SLC9A1 (0.42) SLC9A1MAOBGRM2TOP2AHCAR3
SCHEMBL5279198 0.87 SLC9A1 (0.44) SLC9A1MAOBGRM2HCAR3MAOA
SCHEMBL5275928 0.87 SLC9A1 (0.44) SLC9A1MAOBGRM2HCAR3

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