SCHEMBL29952910

SCHEMBL29952910

Cc1[nH]c2ccncc2c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
PARP1 P09874 2/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMD14 O00487 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FEN1 P39748 1/20 0.41
IMPDH2 P12268 1/20 0.39
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR6 P50406 2/20 0.38
NPC1 O15118 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
NR3C1 P04150 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL29955041 0.86 CHUK (0.44) PARP1MAPTMEN1KMT2APSMD14
SCHEMBL29954783 0.79 ACHE (0.44) ACHEPARP1MAPTFEN1ERN1
SCHEMBL11985807 0.76 ACHE (0.55) ACHEPARP1MAPTMEN1KMT2A
SCHEMBL29378092 0.74 HPGD (0.61) MAPTMEN1KMT2APSMD14L3MBTL1
SCHEMBL248974 0.74 HPGD (0.61) MAPTMEN1KMT2APSMD14L3MBTL1
SCHEMBL23473995 0.73 ACHE (0.51) ACHEPARP1MAPTMEN1KMT2A
SCHEMBL3236462 0.72 ACHE (0.47) ACHEPARP1MAPTMEN1KMT2A
SCHEMBL10941882 0.71 MEN1 (0.55) ACHEMAPTMEN1KMT2AL3MBTL1
SCHEMBL29954956 0.71 MEN1 (0.55) ACHEMAPTMEN1KMT2AL3MBTL1
SCHEMBL29498328 0.71 TNKS2 (0.56) ACHEPARP1MAPTFEN1KDM4E

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