SCHEMBL29950848

SCHEMBL29950848

CCCCNC(=O)COc1ccccc1C=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.56
HSD17B10 Q99714 1/20 0.54
TSHR P16473 3/20 0.52
RECQL P46063 1/20 0.52
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL15332808 0.92 PTGDR2 (0.59) KMT2APTGDR2HSD17B10TSHRNPC1
SCHEMBL2562334 0.87 HPGD (0.57) KMT2APTGDR2HSD17B10TSHRRECQL
SCHEMBL29955221 0.86 PTGDR2 (0.62) KMT2APTGDR2HSD17B10TSHRNPC1
SCHEMBL22588977 0.85 PTGDR2 (0.55) KMT2APTGDR2HSD17B10TSHRRECQL
SCHEMBL7365741 0.85 PTGDR2 (0.60) KMT2APTGDR2HSD17B10TSHRNPC1
SCHEMBL2552236 0.84 HPGD (0.67) PTGDR2HSD17B10TSHRNPC1NFKB1
SCHEMBL29958062 0.84 HSD17B10 (0.51) KMT2AHSD17B10TSHRRECQLNPC1
SCHEMBL2555017 0.83 MAPT (0.56) KMT2APTGDR2HSD17B10TSHRNPC1
SCHEMBL29954513 0.82 NPSR1 (0.52) KMT2ATSHRNPC1RAB9AHPGD
SCHEMBL10869056 0.81 KMT2A (0.65) KMT2AHSD17B10TSHRRECQLHPGD

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