SCHEMBL29951171

SCHEMBL29951171

NCc1ccc(C=O)c(OC2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.50
POLB P06746 1/20 0.41
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
LCK P06239 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 1/20 0.32
HRH1 P35367 2/20 0.31

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
SCHEMBL29955920 0.88 CSNK2A1 (0.54) CSNK2A1POLBLOXLOXL2IKBKB
SCHEMBL29952250 0.79 POLB (0.40) CSNK2A1POLBALDH1A1L3MBTL1GAA
SCHEMBL14327024 0.77 ALDH1A1 (0.58) POLBALDH1A1L3MBTL1TDP1HPGD
SCHEMBL24190659 0.76 TDP1 (0.48) POLBTDP1
SCHEMBL29333351 0.76 POLB (0.47) POLBALDH1A1
SCHEMBL30396359 0.76 TDP1 (0.48) POLBTDP1
SCHEMBL29956602 0.74 PARP10 (0.50) PDE4B
SCHEMBL29956019 0.73 POLB (0.42) CSNK2A1POLBLOXLOXL2PDE4B
SCHEMBL29951528 0.73 POLB (0.39) CSNK2A1POLBLOXLOXL2IKBKB
SCHEMBL29957981 0.72 HPGD (0.40) CSNK2A1POLBALDH1A1KMT2ATDP1

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