SCHEMBL8416630

SCHEMBL8416630

COc1c(N[C@H]2CC[C@@H](C(C)(C)C)CC2)ccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.43
NSD2 O96028 1/20 0.37
KMT5B Q4FZB7 2/20 0.36
KMT5C Q86Y97 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM1 Q13255 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PDE4B Q07343 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8417983 1.00 FGFR2 (0.43) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8416629 1.00 FGFR2 (0.43) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8710207 0.87 NSD2 (0.36) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL9034335 0.87 NSD2 (0.36) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8710322 0.87 NSD2 (0.36) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8415152 0.85 FGFR2 (0.44) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8417988 0.85 FGFR2 (0.44) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8417986 0.85 FGFR2 (0.44) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL8415150 0.85 FGFR2 (0.44) FGFR2NSD2KMT5BKMT5CMEN1
SCHEMBL9033873 0.82 FGFR2 (0.42) FGFR2NSD2KMT5BKMT5CMEN1

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-5877322-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1999-03-02 US disclosed
EP-0719257-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-1995007892-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed