SCHEMBL5284496

SCHEMBL5284496

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
GRM2 Q14416 1/20 0.35
TOP2A P11388 1/20 0.33
HCAR3 P49019 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
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
SCHEMBL5278264 0.94 SLC9A1 (0.41) SLC9A1GRM2HCAR3
SCHEMBL5279132 0.90 SLC9A1 (0.35) SLC9A1GRM2TOP2A
SCHEMBL5277804 0.86 SLC9A1 (0.40) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5275135 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5274113 0.83 SLC9A1 (0.38) SLC9A1GRM2TOP2AHCAR3CYP2C19
SCHEMBL5276769 0.82 SLC9A1 (0.32) SLC9A1
SCHEMBL5287387 0.82 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3
SCHEMBL5275038 0.82 GRM2 (0.40) SLC9A1GRM2TOP2AHCAR3MEN1
SCHEMBL5275403 0.82 SLC9A1 (0.37) SLC9A1GRM2TOP2AHCAR3TSHR
SCHEMBL5277455 0.82 SLC9A1 (0.37) 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