SCHEMBL5283635

SCHEMBL5283635

CCCCc1nn[nH]c1C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
HCAR3 P49019 1/20 0.33
MLYCD O95822 1/20 0.32
GAA P10253 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL5274198 0.89 GABRB3 (0.31)
SCHEMBL5277678 0.86 HCAR2 (0.36) HCAR2HCAR3MLYCDGAATSHR
SCHEMBL5273920 0.82
SCHEMBL5324743 0.80 HCAR2 (0.38) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5273207 0.79 HCAR2 (0.34) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5285492 0.77
SCHEMBL5284087 0.76 HCAR2 (0.33) HCAR2HCAR3GAATSHRMAPK1
SCHEMBL5274443 0.74 GABRB3 (0.32) HCAR2HCAR3
SCHEMBL5280993 0.72 HCAR2 (0.38) HCAR2
SCHEMBL5282289 0.72 HCAR2 (0.42) HCAR2HCAR3GAATSHRMAPK1

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