SCHEMBL29956728

SCHEMBL29956728

Nc1cncnc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
THRB P10828 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 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
SCHEMBL3567228 1.00 KDM4E (0.44) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL28170830 0.83 NNMT (0.41) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL7456714 0.76 ALDH1A1 (0.50) KDM4EALDH1A1MAPTL3MBTL1KDM4C
SCHEMBL68960 0.76 KDM4E (0.47) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL30978924 0.76 HCAR2 (0.44) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL352483 0.76 SPR (0.45) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL629032 0.76 HCAR2 (0.44) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL758324 0.74 NAPRT (0.48) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL9278316 0.74 MEN1 (0.46) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL20928646 0.74 HCAR2 (0.43) KDM4EALDH1A1KMT2AMEN1MAPT

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