SCHEMBL8840468

SCHEMBL8840468

COCc1nccc(N(C2CCCCC2)C(C)(C)C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL8417787 0.79 JAK3 (0.37) JAK2JAK1JAK3MEN1MAPT
Hydrochloric Acid SCHEMBL8415221 0.76 TRPM8 (0.35) JAK2JAK1JAK3MEN1MAPT
SCHEMBL8840572 0.74 JAK2 (0.31) JAK2JAK1JAK3
SCHEMBL8840488 0.74 MEN1 (0.34) JAK2JAK1JAK3MEN1MAPT
Hydrochloric Acid SCHEMBL8840537 0.74 JAK2 (0.31) JAK2JAK1JAK3TRPM8
SCHEMBL8840576 0.73 TRPM8 (0.32) JAK2JAK1JAK3TRPM8
SCHEMBL8417992 0.72 JAK2 (0.36) JAK2JAK1JAK3MEN1MAPT
SCHEMBL8840434 0.72 JAK3 (0.36) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL8416637 0.70 MEN1 (0.36) JAK2JAK1JAK3MEN1MAPT
SCHEMBL8840562 0.69 CCKBR (0.35) JAK2JAK1JAK3MEN1KMT2A

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
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed