SCHEMBL29952587

SCHEMBL29952587

CC(=O)c1c(C)nc2ccccc2c1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.71
TP53 P04637 1/20 0.71
PDE10A Q9Y233 3/20 0.70
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
HTT P42858 3/20 0.63
ALDH1A1 P00352 3/20 0.63
TSHR P16473 1/20 0.55
DHODH Q02127 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
NUDT1 P36639 1/20 0.49
GPR3 P46089 1/20 0.48
FABP3 P05413 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
SCHEMBL353201 0.91 PDE10A (0.77) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL29415444 0.91 PDE10A (0.77) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL20669783 0.84 PDE10A (0.77) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL15487702 0.83 HSD17B10 (0.66) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL6654332 0.83 HSD17B10 (1.00) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL13957825 0.82 PDE10A (1.00) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL10265349 0.82 PDE10A (0.74) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL12220557 0.81 HSD17B10 (0.62) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL1527122 0.81 PDE10A (0.72) HSD17B10TP53PDE10AKMT2AMEN1
SCHEMBL11056730 0.81 PDE10A (0.67) HSD17B10TP53PDE10AKMT2AMEN1

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