SCHEMBL1809262

SCHEMBL1809262

Nc1ncccc1-c1cn(Cc2cccc(OCc3ccccc3)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.48
MIF P14174 1/20 0.48
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
GSK3B P49841 2/20 0.42
FLT3 P36888 1/20 0.42
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ANPEP P15144 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
SCHEMBL1734372 0.90 TUBB4A (0.49) CD74MIFCYP19A1GSK3BFLT3
SCHEMBL1734185 0.89 CYP19A1 (0.51) CYP19A1GSK3BFLT3LTA4HMAPK14
SCHEMBL1809812 0.86 CD74 (0.53) CD74MIFCYP19A1MAOBGPR55
SCHEMBL1733749 0.83 CYP19A1 (0.42) CYP19A1GSK3BFLT3LTA4HMAPK14
SCHEMBL1805789 0.82 MAOB (0.49) CYP19A1MAOBGSK3BCCNKCDK12
SCHEMBL1733372 0.82 TEK (0.46) CYP19A1GSK3BFLT3MEN1KMT2A
SCHEMBL1806637 0.82 LTA4H (0.52) CYP19A1ALDH1A1SMN1; SMN2HTTLTA4H
SCHEMBL1808527 0.82 NPC1 (0.53) CYP19A1KDM4EMEN1KMT2ACCNK
SCHEMBL1816497 0.82 TEK (0.43) CYP19A1MEN1KMT2ACCNKCDK12
SCHEMBL1813784 0.82 CYP19A1 (0.52) CYP19A1MAOBMEN1KMT2ACCNK

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