SCHEMBL1808810

SCHEMBL1808810

Nc1ncccc1-c1cn(Cc2ccc(OCc3ccc(F)c(F)c3)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.45
EPHB4 P54760 5/20 0.45
KDR P35968 4/20 0.45
CYP19A1 P11511 7/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL1809770 0.89 MAOB (0.48) TEKEPHB4KDRMAOAMAOB
SCHEMBL1806051 0.89 EPHB4 (0.45) TEKEPHB4KDRCYP19A1CCNK
SCHEMBL1805789 0.88 MAOB (0.49) TEKEPHB4KDRCYP19A1CCNK
SCHEMBL1813784 0.88 CYP19A1 (0.52) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1804661 0.87 NPC1 (0.52) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1812905 0.87 EPHB4 (0.48) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1734185 0.86 CYP19A1 (0.51) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1805403 0.86 EPHB4 (0.50) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1808527 0.85 NPC1 (0.53) TEKEPHB4KDRCYP19A1MEN1
SCHEMBL1816497 0.85 TEK (0.43) TEKEPHB4KDRCYP19A1MEN1

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