SCHEMBL29957033

SCHEMBL29957033

Nc1cnccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
THRB P10828 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
AOC1 P19801 2/20 0.43
AOC3 Q16853 2/20 0.43
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
LMNA P02545 2/20 0.36

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
SCHEMBL1896645 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL29958176 0.82 GAA (0.46) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL361105 0.82 GAA (0.46) ALDH1A1MAPTKDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL29956207 0.80 GAA (0.45) ALDH1A1MAPTKDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL1301715 0.80 GAA (0.45) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL29952734 0.74 KDM4E (0.38) KDM4ETDP1KDM4CEP300KAT2B
SCHEMBL22489854 0.74 KDM4E (0.38) KDM4ETDP1KDM4CEP300KAT2B
SCHEMBL708913 0.74 SIRT3 (0.41) MAPTTDP1GAACYP2D6CYP1A2
SCHEMBL115776 0.73 GAA (0.46) MAPTKDM4ETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL14797240 0.73 SIRT3 (0.39) TDP1GAACYP2D6CYP1A2CYP3A4

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