SCHEMBL5276325

SCHEMBL5276325

CCCCn1nnc(CC)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
GRM2 Q14416 1/20 0.36
GABRB3 P28472 4/20 0.34
TOP2A P11388 1/20 0.34
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
HCAR3 P49019 1/20 0.33
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
SCHEMBL5286619 0.93 SLC9A1 (0.42) SLC9A1GABRB3GABRA2GABRB2HCAR3
SCHEMBL5285819 0.89 SLC9A1 (0.36) SLC9A1GRM2GABRB3TOP2AGABRA2
SCHEMBL5280231 0.88 SLC9A1 (0.38) SLC9A1GRM2GABRB3TOP2AGABRA2
SCHEMBL5284605 0.88 SLC9A1 (0.38) SLC9A1GRM2GABRB3TOP2AGABRA2
SCHEMBL5287387 0.87 SLC9A1 (0.37) SLC9A1GRM2GABRB3TOP2AHCAR3
SCHEMBL5276919 0.85 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5280309 0.84 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3CYP2C19
SCHEMBL5284372 0.84 SLC9A1 (0.36) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5280861 0.83 SLC9A1 (0.39) SLC9A1GRM2TOP2AHCAR3CYP2C19
SCHEMBL5276138 0.82 SLC9A1 (0.41) SLC9A1GABRB3GABRA2GABRB2HCAR3

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