SCHEMBL16795372

SCHEMBL16795372

COC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.47
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
DGAT1 O75907 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ROCK1 Q13464 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
TSHR P16473 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL3416554 0.88 PRMT5 (0.58) HIF1APRMT5WDR77CA1CA2
SCHEMBL16321506 0.87 TSHR (0.46) HIF1APRMT5WDR77CA1CA2
SCHEMBL18989327 0.87 PRMT5 (0.47) HIF1APRMT5WDR77CA1CA2
SCHEMBL12502664 0.87 HIF1A (0.48) HIF1APRMT5WDR77CA1CA2
SCHEMBL28616950 0.84 ROCK1 (0.52) HIF1APRMT5WDR77CA1CA2
SCHEMBL21682668 0.79 HIF1A (0.50) HIF1ACA1CA2CA9CA12
SCHEMBL16795375 0.79 HIF1A (0.46) HIF1APRMT5WDR77CA1CA2
SCHEMBL23732881 0.78 LIPG (0.51) HIF1APRMT5WDR77CA1CA2
SCHEMBL3413800 0.77 PRMT5 (0.57) HIF1APRMT5WDR77CA1CA2
SCHEMBL3416221 0.76 PRMT5 (0.56) HIF1APRMT5WDR77CA1CA2

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-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed