SCHEMBL8705183

SCHEMBL8705183

CC(C)c1nccc(N[C@H]2CC[C@@H](C(C)(C)CC(C)(C)C)CC2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.36
KMT5B Q4FZB7 2/20 0.33
KMT5C Q86Y97 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL8416673 0.87 NSD2 (0.37) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8416670 0.87 NSD2 (0.37) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8705389 0.84 NSD2 (0.38) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8706891 0.82 NSD2 (0.39) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8840567 0.80 NSD2 (0.35) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8840599 0.80 NSD2 (0.35) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8840561 0.80 NSD2 (0.35) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8710322 0.77 NSD2 (0.36) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8710207 0.77 NSD2 (0.36) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL9034335 0.77 NSD2 (0.36) NSD2KMT5BKMT5CKDM4EMEN1

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