SCHEMBL29951591

SCHEMBL29951591

OB(O)c1ccnc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RIPK2 O43353 2/20 0.38
RET P07949 1/20 0.36
RIPK1 Q13546 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
TGFBR1 P36897 1/20 0.36
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29955009 0.85 PARP1 (0.42) TLR8MEN1KMT2AALDH1A1CASP1
SCHEMBL29778037 0.80 FERMT2 (0.45) MEN1KMT2AKDR
SCHEMBL28856475 0.80 ALK (0.46) ALDH1A1RIPK2KDM4ESMN1; SMN2
SCHEMBL29957635 0.80 NR4A2 (0.56) TLR8MEN1KMT2AALDH1A1CASP1
SCHEMBL29956653 0.78 MEN1 (0.47) TLR8MEN1KMT2AALDH1A1CASP1
SCHEMBL29952206 0.77 HTR1A (0.55) TLR8GAARIPK2KDM4ELMNA
SCHEMBL4378078 0.77 TLR8 (0.59) TLR8MEN1KMT2AALDH1A1CASP1
SCHEMBL29509132 0.76 TLR8 (0.54) TLR8MEN1KMT2AALDH1A1CASP1
SCHEMBL28164080 0.76 TLR8 (0.54) TLR8MEN1KMT2AALDH1A1CASP1
SCHEMBL31463020 0.76 ALK (0.50) PKMYT1

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