SCHEMBL8417784

SCHEMBL8417784

Cc1nccc(NC2CCC(C(C)(C)C)CC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.38
LRRK2 Q5S007 3/20 0.36
GRM1 Q13255 2/20 0.34
ALPL P05186 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
NSD2 O96028 1/20 0.34
KMT5B Q4FZB7 2/20 0.33
KMT5C Q86Y97 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDC7 O00311 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8417785 1.00 FGFR2 (0.38) FGFR2LRRK2GRM1ALPLCYP1A2
SCHEMBL8415011 0.84 NSD2 (0.38) FGFR2LRRK2GRM1CYP2D6CYP2C19
SCHEMBL8415010 0.84 NSD2 (0.38) FGFR2LRRK2GRM1CYP2D6CYP2C19
SCHEMBL8414953 0.83 NSD2 (0.39) FGFR2LRRK2GRM1ALPLCYP1A2
SCHEMBL8414952 0.83 NSD2 (0.39) FGFR2LRRK2GRM1ALPLCYP1A2
SCHEMBL8416212 0.82 NSD2 (0.37) FGFR2LRRK2GRM1ALPLNSD2
SCHEMBL8416572 0.82 FGFR2 (0.43) FGFR2LRRK2GRM1NSD2KMT5B
SCHEMBL8415175 0.82 NSD2 (0.37) FGFR2LRRK2GRM1ALPLNSD2
SCHEMBL8415176 0.82 NSD2 (0.37) FGFR2LRRK2GRM1ALPLNSD2
SCHEMBL8416576 0.82 FGFR2 (0.43) FGFR2LRRK2GRM1NSD2KMT5B

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