SCHEMBL29958221

SCHEMBL29958221

Cn1c(C=O)c(SCC(=O)O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ EGFR P00533 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ HPGD P15428 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL29952261 0.80 MAPT (0.54) KDM4EL3MBTL1ATMALDH1A1HSD17B10
SCHEMBL14560443 0.75 EGFR (0.64) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL26631823 0.72 L3MBTL1 (0.50) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL1092376 0.71 L3MBTL1 (0.55) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL1520468 0.70 KDM4E (1.00) KDM4ETDP1ALDH1A1HSD17B10MEN1
SCHEMBL14560448 0.70 EGFR (0.50) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL28165403 0.69 L3MBTL1 (0.54) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL26631768 0.69 TDP1 (0.54) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL14222653 0.69 L3MBTL1 (0.54) KDM4EL3MBTL1TDP1ATMALDH1A1
SCHEMBL28236134 0.69 L3MBTL1 (0.54) KDM4EL3MBTL1TDP1ATMALDH1A1

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
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