SCHEMBL29956089

SCHEMBL29956089

O=Cc1cccc2[nH]nc(I)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.43
CYP2A6 P11509 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDR P35968 4/20 0.37
MAPK8 P45983 3/20 0.37
MAPK9 P45984 3/20 0.37
LCK P06239 3/20 0.37
CSF1R P07333 3/20 0.37
FGFR1 P11362 3/20 0.37
ROCK1 Q13464 3/20 0.37
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
MAPK10 P53779 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL15566365 1.00 PDPK1 (0.43) PDPK1CYP2A6MEN1KMT2ALMNA
SCHEMBL29955303 0.80 CYP2A6 (0.39) PDPK1CYP2A6MEN1KMT2ALMNA
SCHEMBL3535995 0.80 CYP2A6 (0.39) PDPK1CYP2A6MEN1KMT2ALMNA
SCHEMBL18368425 0.79 CYP1A2 (0.43) PDPK1CYP2A6MEN1KMT2ALMNA
SCHEMBL5209867 0.77 PDPK1 (0.68) PDPK1MEN1KMT2ALMNAKDR
SCHEMBL29953412 0.75 CDK2 (0.38) PDPK1CYP2A6MEN1KMT2ALMNA
SCHEMBL14631680 0.72 MAPK1 (0.51) PDPK1MEN1KMT2ALMNAKDR
SCHEMBL16724833 0.72 PDPK1 (0.47) PDPK1CYP2A6MEN1KMT2ALMNA
SCHEMBL5952759 0.72 PDPK1 (0.47) PDPK1MEN1KMT2ALMNAKDR
SCHEMBL31190844 0.72 MAPK1 (0.51) PDPK1MEN1KMT2ALMNAKDR

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