SCHEMBL1805403

SCHEMBL1805403

Nc1ncccc1-c1cn(Cc2ccc(OCc3ccccc3F)cc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 5/20 0.50
TEK Q02763 4/20 0.50
KDR P35968 3/20 0.50
MAOB P27338 3/20 0.46
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 5/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN3A Q9NY46 1/20 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

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
SCHEMBL1809498 0.89 EPHB4 (0.43) EPHB4TEKKDRMAOBMEN1
SCHEMBL1813493 0.89 MAOB (0.45) EPHB4TEKKDRMAOBCYP19A1
SCHEMBL1812905 0.89 EPHB4 (0.48) EPHB4TEKKDRCYP19A1NPC1
SCHEMBL1806942 0.88 CYP19A1 (0.45) EPHB4TEKKDRCYP19A1NPC1
SCHEMBL1806051 0.87 EPHB4 (0.45) EPHB4TEKKDRMAOBCYP19A1
SCHEMBL1734185 0.86 CYP19A1 (0.51) EPHB4TEKKDRCYP19A1MEN1
SCHEMBL1807224 0.86 CYP19A1 (0.47) EPHB4KDRCYP19A1NPC1RAB9A
SCHEMBL1808810 0.86 TEK (0.45) EPHB4TEKKDRMAOBCYP19A1
SCHEMBL1814458 0.85 CYP19A1 (0.40) EPHB4TEKKDRCYP19A1NPC1
SCHEMBL1816497 0.83 TEK (0.43) EPHB4TEKKDRCYP19A1NPC1

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