SCHEMBL29956691

SCHEMBL29956691

Nc1nc2ccccc2nc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
GAA P10253 3/20 0.58
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLAUR Q03405 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NUDT1 P36639 1/20 0.40
PDPK1 O15530 1/20 0.40

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
SCHEMBL28218325 1.00 MAPT (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29444102 0.75 MAPT (1.00) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL503252 0.75 MAPT (1.00) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17301945 0.75 RRM2 (0.31)
SCHEMBL30366834 0.74 TDP1 (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3706723 0.74 TDP1 (0.58) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20551851 0.74 MAPT (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2023434 0.74 ERN1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5101956 0.74 MAPT (0.44) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28412041 0.74 KDM4E (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10

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