SCHEMBL29955893

SCHEMBL29955893

CC(C(=O)O)S(=O)(=O)Nc1ccccc1N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.38
KDM1A O60341 1/20 0.37
KCNQ2 O43526 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NSD2 O96028 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL29955119 0.77 CXCL8 (0.40) NR3C1ALDH1A1MAPTTSHRKDM4E
SCHEMBL11571083 0.75 MAPT (0.42) NR3C1POLBALDH1A1MAPTTSHR
SCHEMBL29950893 0.74 PSIP1 (0.42) NR3C1ALDH1A1MAPTTSHRTP53
SCHEMBL11506985 0.72 MAPT (0.60) POLBALDH1A1MAPTGAASMN1; SMN2
SCHEMBL29955140 0.72 NR3C1 (0.40) NR3C1ALDH1A1MAPTTSHRTP53
SCHEMBL8779736 0.70 KCNQ2 (0.50) POLBALDH1A1MAPTTSHRTP53
SCHEMBL29955167 0.70 NR3C1 (0.39) NR3C1ALDH1A1MAPTKCNQ2
SCHEMBL3260045 0.68 ALDH1A1 (0.40) ALDH1A1MAPTTSHRTP53GAA
SCHEMBL11741095 0.67 GPR35 (0.52) ALDH1A1MAPTTSHRTP53GAA
SCHEMBL2942491 0.66 KCNQ2 (0.50) POLBALDH1A1MAPTTSHRTP53

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