SCHEMBL29951820

SCHEMBL29951820

COc1ccc(B(O)O)cc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 5/20 0.63
GAA P10253 3/20 0.63
POLB P06746 3/20 0.63
RAB9A P51151 2/20 0.63
HPGD P15428 1/20 0.63
NPBWR1 P48145 1/20 0.62
KMT2A Q03164 3/20 0.58
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
LMNA P02545 1/20 0.53
PKM P14618 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 0.99 ALDH1A1 (0.64) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL29952555 0.99 ALDH1A1 (0.64) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL3707131 0.87 ALDH1A1 (0.59) TSHRALDH1A1POLBKMT2ALMNA
SCHEMBL29952917 0.87 ALDH1A1 (0.59) TSHRALDH1A1POLBKMT2ALMNA
SCHEMBL29944324 0.80 KMT2A (0.74) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL29575490 0.79 GAA (0.97) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL1001171 0.78 RAB9A (0.72) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL7661191 0.78 RAB9A (0.72) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL7661631 0.77 RAB9A (0.73) TSHRKDM4EALDH1A1GAAPOLB
SCHEMBL9633286 0.75 TSHR (0.62) TSHRKDM4EALDH1A1GAAPOLB

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