SCHEMBL6472832

SCHEMBL6472832

BrCc1ccccn1.N#CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HRH1 P35367 2/20 0.44
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL6563 0.87
SCHEMBL29415695 0.87
Hydrochloric Acid SCHEMBL29994471 0.85
Bromide SCHEMBL29427044 0.85
Iodide SCHEMBL6246153 0.85
Hydrochloric Acid SCHEMBL243023 0.85
Bromide SCHEMBL119703 0.85
Bromide SCHEMBL1716492 0.83
Bromide SCHEMBL28224623 0.83
Pyridine SCHEMBL3056288 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLIN28ATDP1HRH1

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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed