SCHEMBL6897919

SCHEMBL6897919

CNCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
AAK1 Q2M2I8 2/20 0.36
DGAT1 O75907 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
F2 P00734 2/20 0.34
F11 P03951 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
HIF1A Q16665 3/20 0.34
HTR1B P28222 1/20 0.33
S1PR1 P21453 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL18704586 0.86 LPL (0.42) AAK1DGAT1LPLLIPGF2
SCHEMBL2146787 0.85 F2 (0.41) KDM4EALDH1A1GAAAAK1DGAT1
SCHEMBL22150433 0.85 LPL (0.45) AAK1DGAT1LPLLIPGHIF1A
SCHEMBL6901029 0.85 LPL (0.36) AAK1DGAT1LPLLIPGF2
SCHEMBL2146382 0.85 S1PR1 (0.42) AAK1DGAT1LPLLIPGS1PR1
SCHEMBL2146769 0.84 CTSS (0.42) KDM4EALDH1A1AAK1DGAT1LPL
SCHEMBL16499739 0.83 RXRA (0.42) AAK1LPLLIPGF2F11
SCHEMBL2947619 0.83 LPL (0.48) LPLLIPGS1PR1S1PR4
SCHEMBL28553153 0.82 THRA (0.43) KDM4EALDH1A1AAK1LPLLIPG
SCHEMBL2146802 0.82 AAK1 (0.49) AAK1DGAT1LMNAF2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed