SCHEMBL29952555

SCHEMBL29952555

COc1ccc(B(O)O)cc1S(=O)(=O)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
TSHR P16473 5/20 0.64
GAA P10253 3/20 0.64
POLB P06746 3/20 0.64
KDM4E B2RXH2 2/20 0.64
RAB9A P51151 2/20 0.64
HPGD P15428 1/20 0.64
NPBWR1 P48145 1/20 0.60
KMT2A Q03164 4/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.53
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL17393891 1.00 ALDH1A1 (0.64) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL29951820 0.99 TSHR (0.67) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL3707131 0.88 ALDH1A1 (0.59) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL29952917 0.88 ALDH1A1 (0.59) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL29944324 0.78 KMT2A (0.74) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL7661631 0.78 RAB9A (0.73) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL29575490 0.77 GAA (0.97) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL1001171 0.77 RAB9A (0.72) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL7661191 0.77 RAB9A (0.72) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL9633601 0.75 POLB (0.60) ALDH1A1TSHRGAAPOLBKDM4E

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