SCHEMBL8705292

SCHEMBL8705292

CCC(C)(C)N(c1ccnc(C)c1OC)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MCOLN3 Q8TDD5 2/20 0.35
ALDH1A1 P00352 3/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
TRPM8 Q7Z2W7 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHR1 P34998 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
MAOA P21397 1/20 0.31
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8705045 0.90 MEN1 (0.35) TSHRMCOLN3ALDH1A1JAK2JAK1
SCHEMBL9035643 0.89 ALDH1A1 (0.33) TSHRMCOLN3ALDH1A1JAK2JAK1
SCHEMBL8417992 0.87 JAK2 (0.36) TSHRMCOLN3ALDH1A1JAK2JAK1
SCHEMBL8705608 0.81 JAK3 (0.33) JAK2JAK1JAK3
SCHEMBL8416637 0.80 MEN1 (0.36) TSHRMCOLN3ALDH1A1JAK2JAK1
SCHEMBL9033105 0.79 TRPM8 (0.31) ALDH1A1TRPM8CRHR1MEN1KMT2A
SCHEMBL9034137 0.79 JAK2 (0.39) TSHRMCOLN3ALDH1A1JAK2JAK1
Hydrochloric Acid SCHEMBL8708616 0.78 MAOA (0.40) TSHRMCOLN3ALDH1A1JAK2JAK1
SCHEMBL8840396 0.77 MEN1 (0.33) JAK2JAK1JAK3SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL8415221 0.76 TRPM8 (0.35) TSHRMCOLN3ALDH1A1JAK2JAK1

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-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed