SCHEMBL29953968

SCHEMBL29953968

CC(C)(C)OC(=O)n1nc(I)c2c(C=O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.38
RORC P51449 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NR1H2 P55055 2/20 0.32
BCHE P06276 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
POLB P06746 1/20 0.32
FAAH O00519 1/20 0.32
PARP14 Q460N5 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 1/20 0.31
BACE1 P56817 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL18837358 0.83 MAP2K4 (0.40) MAP2K4RORCKDM4EALDH1A1NR1H2
SCHEMBL16724831 0.82 MAP2K4 (0.39) MAP2K4KDM4EALDH1A1NR1H2BCHE
SCHEMBL31190600 0.82 MAP2K4 (0.39) MAP2K4RORCKDM4EALDH1A1NR1H2
SCHEMBL31190710 0.82 MAP2K4 (0.41) MAP2K4RORCKDM4EALDH1A1NR1H2
SCHEMBL5951848 0.82 MAP2K4 (0.41) MAP2K4RORCKDM4EALDH1A1NR1H2
SCHEMBL5951579 0.82 MAP2K4 (0.39) MAP2K4RORCKDM4EALDH1A1NR1H2
SCHEMBL29955669 0.80 MAP2K4 (0.34) MAP2K4BCHEGABRG2GABRB3GABRA5
SCHEMBL31190764 0.79 MAP2K4 (0.39) MAP2K4RORCKDM4EALDH1A1NR1H2
SCHEMBL31190618 0.78 MET (0.38) MAP2K4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL3598244 0.78 MET (0.38) MAP2K4KDM4EALDH1A1POLBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed