SCHEMBL29950982

SCHEMBL29950982

CC(C)OC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
WDR5 P61964 1/20 0.47
PDK1 Q15118 2/20 0.45
MAPT P10636 2/20 0.45
VCAM1 P19320 1/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13011536 0.84 VCAM1 (0.61) MAPTVCAM1MEN1KMT2AALDH1A1
SCHEMBL16004920 0.82 CA12 (0.64) CRHBPCRHR2CA12CA1CA2
SCHEMBL11566829 0.82 CRHBP (0.60) CRHBPCRHR2CA12CA1CA2
SCHEMBL10946461 0.81 CRHBP (0.73) CRHBPCRHR2CA12CA1CA2
SCHEMBL1761873 0.81 VCAM1 (0.62) CRHBPCRHR2CA12CA1CA2
SCHEMBL4004897 0.80 KMT2A (0.62) CRHBPCRHR2CA12CA1CA2
SCHEMBL29952953 0.80 KMT2A (0.62) CRHBPCRHR2CA12CA1CA2
SCHEMBL6113956 0.80 PDK1 (0.69) CRHBPCRHR2CA12CA1CA2
SCHEMBL19306354 0.79 TSHR (0.62) CRHBPCRHR2CA12CA1CA2
SCHEMBL13977122 0.79 MAPT (0.52) MAPTVCAM1MEN1KMT2AALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed