SCHEMBL29952803

SCHEMBL29952803

COC(=O)CSc1nc2ccccn2c(=O)c1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 1.00
KDM4E B2RXH2 2/20 1.00
RAB9A P51151 1/20 1.00
MAPT P10636 5/20 0.57
ALDH1A1 P00352 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.45
GFER P55789 1/20 0.43

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
SCHEMBL15332990 0.78 KDM4E (0.64) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL2559837 0.77 ALDH1A1 (0.67) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL15329889 0.73 MAPT (1.00) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL29952952 0.70 MAPT (0.68) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL2227265 0.70 KDM4E (0.54) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL2562453 0.70 KDM4E (0.54) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL2226511 0.68 MAPT (1.00) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL2227992 0.68 KDM4E (0.56) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL2230037 0.67 MAPT (0.62) GAAKDM4ERAB9AMAPTALDH1A1
SCHEMBL29953106 0.67 MAPT (0.58) GAAKDM4ERAB9AMAPTALDH1A1

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