SCHEMBL8416576

SCHEMBL8416576

COc1nccc(N[C@H]2CC[C@@H](C(C)(C)C)CC2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.43
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM1 Q13255 2/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.33
NSD2 O96028 1/20 0.32
CYP19A1 P11511 1/20 0.32
PDE10A Q9Y233 2/20 0.32
KMT5B Q4FZB7 1/20 0.32
KMT5C Q86Y97 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CDC7 O00311 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
HPGD P15428 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
SCHEMBL8416572 1.00 FGFR2 (0.43) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8415152 0.85 FGFR2 (0.44) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8415150 0.85 FGFR2 (0.44) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8417785 0.82 FGFR2 (0.38) FGFR2ALDH1A1L3MBTL1GRM1CNR2
SCHEMBL8417784 0.82 FGFR2 (0.38) FGFR2ALDH1A1L3MBTL1GRM1CNR2
SCHEMBL8840539 0.82 FGFR2 (0.42) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8840534 0.82 FGFR2 (0.42) FGFR2MEN1ALDH1A1LMNAGAA
SCHEMBL8415011 0.81 NSD2 (0.38) FGFR2MEN1ALDH1A1KMT2AGRM1
SCHEMBL8415010 0.81 NSD2 (0.38) FGFR2MEN1ALDH1A1KMT2AGRM1
SCHEMBL8840450 0.81 FGFR2 (0.39) FGFR2MEN1ALDH1A1LMNAGAA

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