SCHEMBL8416637

SCHEMBL8416637

CCOc1c(N(C2CCCCC2)C(C)(C)C)ccnc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 3/20 0.32
LMNA P02545 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ATM Q13315 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MAPK1 P28482 2/20 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
SCHEMBL8705045 0.90 MEN1 (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8417992 0.87 JAK2 (0.36) MEN1KMT2AMAPTSMN1; SMN2JAK2
SCHEMBL8840488 0.83 MEN1 (0.34) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8705292 0.80 TSHR (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL8417787 0.79 JAK3 (0.37) MEN1KMT2AMAPTSMN1; SMN2JAK2
SCHEMBL8414954 0.79 JAK3 (0.37) MEN1KMT2AMAPTSMN1; SMN2JAK2
Hydrochloric Acid SCHEMBL8415221 0.78 TRPM8 (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9035643 0.77 ALDH1A1 (0.33) MEN1KMT2AMAPTSMN1; SMN2JAK2
SCHEMBL8840396 0.74 MEN1 (0.33) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL9033105 0.72 TRPM8 (0.31) MEN1KMT2ATRPM8ALDH1A1

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-5877322-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-03-02 US disclosed