SCHEMBL8416673

SCHEMBL8416673

CC(C)c1nccc(N[C@H]2CC[C@@H](C(C)(C)C)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
KMT5B Q4FZB7 2/20 0.36
KMT5C Q86Y97 2/20 0.36
FGFR2 P21802 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
GRM1 Q13255 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK7 P50613 2/20 0.32
CDK9 P50750 2/20 0.32
LRRK2 Q5S007 1/20 0.32
CDC7 O00311 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
SCHEMBL8416670 1.00 NSD2 (0.37) NSD2KMT5BKMT5CFGFR2TRPV1
SCHEMBL8705183 0.87 NSD2 (0.36) NSD2KMT5BKMT5CKDM4EMEN1
SCHEMBL8414953 0.82 NSD2 (0.39) NSD2KMT5BKMT5CFGFR2ALPL
SCHEMBL8414952 0.82 NSD2 (0.39) NSD2KMT5BKMT5CFGFR2ALPL
SCHEMBL8709804 0.81 PRCP (0.47) NSD2KMT5BKMT5CALDH1A1CDK7
SCHEMBL8709802 0.81 PRCP (0.47) NSD2KMT5BKMT5CALDH1A1CDK7
SCHEMBL8417962 0.79 NSD2 (0.42) NSD2KMT5BKMT5CFGFR2ALPL
SCHEMBL8840560 0.76 FGFR2 (0.39) NSD2KMT5BKMT5CFGFR2ALPL
SCHEMBL8415010 0.76 NSD2 (0.38) NSD2KMT5BKMT5CFGFR2KDM4E
SCHEMBL8415011 0.76 NSD2 (0.38) NSD2KMT5BKMT5CFGFR2KDM4E

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