SCHEMBL5284360

SCHEMBL5284360

CCCCn1nnc(CC(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.34
HCAR3 P49019 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.31
TSHR P16473 2/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NR1H3 Q13133 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
CACNA2D1 P54289 1/20 0.30
MAOB P27338 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
SCHEMBL5275672 0.93 SLC9A1 (0.42) SLC9A1GRM2TOP2AHCAR3MAOA
SCHEMBL5280843 0.89 SLC9A1 (0.36) SLC9A1GRM2TOP2AMAOAALDH1A1
SCHEMBL5283153 0.83 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5288212 0.83 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5279067 0.82 SLC9A1 (0.43) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5278639 0.82 MAOA (0.44) SLC9A1MAOAUSP2CACNA2D1
SCHEMBL5273243 0.81 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5277296 0.81 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5288686 0.81 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3HTT
SCHEMBL5282477 0.81 GRM2 (0.41) SLC9A1GRM2TOP2AHCAR3

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