SCHEMBL5280296

SCHEMBL5280296

CCCn1nnc(C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
GRM2 Q14416 1/20 0.33
TOP2A P11388 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP17A1 P05093 1/20 0.30
GRIA4 P48058 1/20 0.30
HCAR3 P49019 1/20 0.30
CYP2C9 P11712 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
SCHEMBL5278792 0.89 SLC9A1 (0.40) SLC9A1ALDH1A1GRM2TOP2AMEN1
SCHEMBL5277604 0.86 SLC9A1 (0.43) SLC9A1ALDH1A1GRM2MAPTKDM4E
SCHEMBL5280310 0.84 CYP11B2 (0.34) SLC9A1ADORA2AADORA2BALDH1A1GRM2
SCHEMBL5279348 0.81 SLC9A1 (0.37) SLC9A1ALDH1A1CYP1A2GRM2TOP2A
SCHEMBL5274174 0.79 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2ACYP17A1
SCHEMBL5278441 0.79 SLC9A1 (0.36) SLC9A1ALDH1A1GRM2TOP2ACYP17A1
SCHEMBL5280262 0.79 GRM2 (0.39) SLC9A1ADORA2AADORA2BALDH1A1GRM2
SCHEMBL5278378 0.79 SLC9A1 (0.36) SLC9A1ALDH1A1CYP1A2GRM2TOP2A
SCHEMBL5276840 0.78 SLC9A1 (0.35) SLC9A1ALDH1A1GRM2TOP2AMAPT
SCHEMBL5280663 0.77 SLC9A1 (0.34) SLC9A1ALDH1A1GRM2

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