SCHEMBL8840396

SCHEMBL8840396

CCOCc1nccc(N(C2CCCCC2)C(C)(C)CC)c1OCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 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
SCHEMBL8840488 0.91 MEN1 (0.34) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8705045 0.84 MEN1 (0.35) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8840520 0.77 NPC1 (0.41) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8705292 0.77 TSHR (0.35) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8416637 0.74 MEN1 (0.36) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8840576 0.72 TRPM8 (0.32) JAK2JAK1JAK3
SCHEMBL8705608 0.70 JAK3 (0.33) JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL8415221 0.70 TRPM8 (0.35) MEN1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8840493 0.70 AVPR1A (0.31)
SCHEMBL8840494 0.69 KMT2A (0.34) MEN1KMT2A

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