SCHEMBL2815529

SCHEMBL2815529

CCOc1ccc(Nc2c(NCCNc3cc(N4CCCC4)nc(N4CCCC4)n3)c(=O)c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
GALR2 O43603 5/20 0.48
GALR1 P47211 4/20 0.48
TSHR P16473 2/20 0.47
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
APAF1 O14727 1/20 0.41
NSD2 O96028 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MAPK1 P28482 3/20 0.40
ALOX15 P16050 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL2773511 0.90 GALR2 (0.59) GALR2GALR1MAPTSMN1; SMN2NPSR1
SCHEMBL2770859 0.86 GALR2 (0.42) GALR2GALR1TSHRMAPTSMN1; SMN2
SCHEMBL2772634 0.86 MAPT (0.42) GALR2GALR1MAPTSMN1; SMN2NPSR1
SCHEMBL2770894 0.85 GALR2 (0.42) GALR2GALR1MAPTSMN1; SMN2NPSR1
SCHEMBL2772274 0.85 MAPT (0.48) GALR2GALR1MAPTSMN1; SMN2KDM4E
SCHEMBL2772459 0.85 GBA1 (0.47) GALR2GALR1MAPTSMN1; SMN2KDM4E
SCHEMBL2772473 0.85 GALR2 (0.48) GALR2GALR1MAPTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL2771922 0.84 GBA1 (0.46) GALR2GALR1MAPTSMN1; SMN2KDM4E
SCHEMBL2773512 0.84 PTGS2 (0.52) HSD17B10GALR2GALR1MAPTSMN1; SMN2
SCHEMBL2772925 0.84 ADORA2A (0.48) HSD17B10GALR2GALR1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178848-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-04-28 EP claimed
WO-2009034258-A1 TRI-AMINO-PYRIMIDINE CYCLOBUTENEDIONE DERIVATIVES USED AS PHOSPHATASE CDC25 INHIBITORS IPSEN PHARMA S.A.S. (FR) 2009-03-19 WO claimed