SCHEMBL8705389

SCHEMBL8705389

Cc1nccc(N[C@H]2CC[C@@H](C(C)(C)CC(C)(C)C)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.38
KMT5B Q4FZB7 2/20 0.35
KMT5C Q86Y97 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
LRRK2 Q5S007 1/20 0.30
MALT1 Q9UDY8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8414952 0.85 NSD2 (0.39) NSD2KMT5BKMT5CKDM4EALDH1A1
SCHEMBL8414953 0.85 NSD2 (0.39) NSD2KMT5BKMT5CKDM4EALDH1A1
SCHEMBL8706891 0.85 NSD2 (0.39) NSD2KMT5BKMT5CKDM4EALDH1A1
SCHEMBL8705183 0.84 NSD2 (0.36) NSD2KMT5BKMT5CKDM4EALDH1A1
SCHEMBL9035638 0.83 FGFR2 (0.34) NSD2CYP2D6CYP2C19NOS1NOS2
SCHEMBL9035632 0.83 FGFR2 (0.34) NSD2CYP2D6CYP2C19NOS1NOS2
SCHEMBL8840599 0.82 NSD2 (0.35) NSD2KMT5BKMT5CKDM4EALDH1A1
SCHEMBL8840567 0.82 NSD2 (0.35) NSD2KMT5BKMT5CKDM4EALDH1A1
SCHEMBL8840561 0.82 NSD2 (0.35) NSD2KMT5BKMT5CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8710432 0.82 FGFR2 (0.34) NSD2

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 3 patents. 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
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed