SCHEMBL8840482

SCHEMBL8840482

CCOCc1nccc(N[C@H]2CC[C@@H](C(C)(C)C)CC2)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.36
NSD2 O96028 1/20 0.34
CYP19A1 P11511 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRMT5 O14744 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CNR2 P34972 1/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 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
SCHEMBL8840472 1.00 FGFR2 (0.36) FGFR2NSD2CYP19A1MEN1ALDH1A1
SCHEMBL8840391 0.91 NSD2 (0.33) NSD2GAAPRMT5
SCHEMBL8840388 0.91 NSD2 (0.33) NSD2GAAPRMT5
SCHEMBL8417815 0.83 FGFR2 (0.38) FGFR2NSD2CYP19A1MEN1ALDH1A1
SCHEMBL8416632 0.83 FGFR2 (0.38) FGFR2NSD2CYP19A1MEN1ALDH1A1
SCHEMBL8416634 0.83 FGFR2 (0.38) FGFR2NSD2CYP19A1MEN1ALDH1A1
SCHEMBL8840426 0.82 PRMT5 (0.36) NSD2MEN1ALDH1A1KMT2ALMNA
SCHEMBL8840433 0.82 PRMT5 (0.36) NSD2MEN1ALDH1A1KMT2ALMNA
SCHEMBL8840466 0.81 FGFR2 (0.41) FGFR2NSD2CYP19A1MEN1ALDH1A1
SCHEMBL8840461 0.81 FGFR2 (0.41) FGFR2NSD2CYP19A1MEN1ALDH1A1

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-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 US disclosed
EP-0719255-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-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed