SCHEMBL29952952

SCHEMBL29952952

O=Cc1c(O)nc2ccccn2c1=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
NPSR1 Q6W5P4 3/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 6/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 4/20 0.56
POLB P06746 3/20 0.56
GFER P55789 1/20 0.56
KMT2A Q03164 4/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL2226511 0.81 MAPT (1.00) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL2230037 0.77 MAPT (0.62) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL645169 0.77 MAPT (0.55) MAPTNPSR1KDM4EALDH1A1GAA
SCHEMBL21287698 0.77 MAPT (0.55) MAPTNPSR1KDM4EALDH1A1GAA
SCHEMBL7011270 0.77 MAPT (0.62) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL2227626 0.75 ALDH1A1 (0.74) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL29957473 0.75 ALDH1A1 (0.97) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL12442812 0.75 MAPT (0.59) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL15329889 0.75 MAPT (1.00) MAPTNPSR1KDM4EALDH1A1HTT
SCHEMBL2218011 0.74 THRB (0.62) MAPTNPSR1KDM4EALDH1A1HTT

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