SCHEMBL1809770

SCHEMBL1809770

Nc1ncccc1-c1cn(Cc2ccc(OCc3cccc(F)c3)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.48
MAOA P21397 10/20 0.43
EPHB4 P54760 2/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL1806051 0.90 EPHB4 (0.45) MAOBEPHB4KDRTEK
SCHEMBL1808810 0.89 TEK (0.45) MAOBMAOAEPHB4KDRTEK
SCHEMBL1805789 0.89 MAOB (0.49) MAOBEPHB4KDRTEK
SCHEMBL1806532 0.88 KDR (0.47) EPHB4KDRTEK
SCHEMBL1809812 0.88 CD74 (0.53) MAOBEPHB4KDRTEK
SCHEMBL1734185 0.88 CYP19A1 (0.51) EPHB4KDRTEK
SCHEMBL1809498 0.87 EPHB4 (0.43) MAOBEPHB4KDRTEK
SCHEMBL1804661 0.86 NPC1 (0.52) EPHB4KDRTEK
SCHEMBL1812905 0.86 EPHB4 (0.48) EPHB4KDRTEK
SCHEMBL1808527 0.85 NPC1 (0.53) EPHB4KDRTEK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed