SCHEMBL5277804

SCHEMBL5277804

CCCCn1nnc(C)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.40
GRM2 Q14416 1/20 0.36
TOP2A P11388 1/20 0.35
HCAR3 P49019 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GABRB3 P28472 2/20 0.33
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.31
NR1H3 Q13133 1/20 0.31
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL5280030 0.93 SLC9A1 (0.43) SLC9A1GRM2HCAR3ALDH1A1
SCHEMBL5276767 0.89 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5284496 0.86 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5274077 0.84 SLC9A1 (0.41) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5273577 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5273595 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5276224 0.82 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5278007 0.81 GABRB3 (0.34) SLC9A1GRM2GABRB3ALDH1A1
SCHEMBL5276065 0.81 GRM2 (0.42) SLC9A1GRM2TOP2AHCAR3KMT2A
SCHEMBL5276325 0.81 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3KMT2A

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