SCHEMBL8840458

SCHEMBL8840458

CCCCCCCCNc1cc[nH]c(=O)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.39
ELANE P08246 2/20 0.38
GPR84 Q9NQS5 11/20 0.38
MAPT P10636 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL13975420 0.75 XDH (0.44) XDHELANEGPR84
SCHEMBL4442003 0.72 XDH (0.46) XDHGPR84MAPT
SCHEMBL3821760 0.72 ALDH1A1 (0.41) GPR84
SCHEMBL23623789 0.72 ELANE (0.39) ELANEGPR84
SCHEMBL8840406 0.69 BCL6 (0.47) XDH
SCHEMBL5501545 0.69 XDH (0.43) XDHGPR84MGLL
SCHEMBL8840619 0.68 PRKACA (0.46) XDH
SCHEMBL4442001 0.67 XDH (0.43) XDHELANEGPR84
SCHEMBL10330181 0.66 TSHR (0.46) XDH
SCHEMBL5788121 0.66 ELANE (0.48) XDHELANEGPR84

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