SCHEMBL1809498

SCHEMBL1809498

Nc1ncccc1-c1cn(Cc2ccc(OCc3ccc(F)cc3F)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 5/20 0.43
TEK Q02763 5/20 0.43
KDR P35968 3/20 0.43
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
MAPT P10636 2/20 0.39
CDC7 O00311 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
TYR P14679 1/20 0.38
PTGS2 P35354 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL1805403 0.89 EPHB4 (0.50) EPHB4TEKKDRMEN1KMT2A
SCHEMBL1806051 0.88 EPHB4 (0.45) EPHB4TEKKDRMAPTMAOB
SCHEMBL1809770 0.87 MAOB (0.48) EPHB4TEKKDRMAOB
SCHEMBL1808810 0.85 TEK (0.45) EPHB4TEKKDRMEN1KMT2A
SCHEMBL1812905 0.84 EPHB4 (0.48) EPHB4TEKKDRKDM4EMEN1
SCHEMBL1813493 0.82 MAOB (0.45) EPHB4TEKKDRTP53MAPT
SCHEMBL1808185 0.82 CYP19A1 (0.44) EPHB4TEKKDRMEN1KMT2A
SCHEMBL1807224 0.82 CYP19A1 (0.47) EPHB4KDRMEN1KMT2ACCNK
SCHEMBL1734185 0.82 CYP19A1 (0.51) EPHB4TEKKDRMEN1KMT2A
SCHEMBL1806942 0.82 CYP19A1 (0.45) EPHB4TEKKDRMEN1KMT2A

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