SCHEMBL7500812

SCHEMBL7500812

O=C1C=C(N2CCOCC2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
STAT3 P40763 1/20 0.47
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
LMNA P02545 4/20 0.44
RAB9A P51151 2/20 0.44
APAF1 O14727 1/20 0.44
NPC1 O15118 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NOD2 Q9HC29 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL28703627 0.80 APAF1 (0.41) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL9508287 0.73 MAPT (0.66) MAPTHTTSMN1; SMN2TP53STAT3
SCHEMBL28709549 0.72
SCHEMBL28701133 0.72
Anthracene SCHEMBL28713135 0.69 NSD2 (0.43) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL16361771 0.67 MAPT (0.38) MAPTHTTSMN1; SMN2TP53STAT3
SCHEMBL4594682 0.67 MAPT (0.41) MAPTHTTSMN1; SMN2TP53STAT3
SCHEMBL15672213 0.67 MAPT (0.49) MAPTHTTSMN1; SMN2TP53STAT3
SCHEMBL19440103 0.67 MAPT (0.49) MAPTHTTSMN1; SMN2TP53STAT3
Anthracene SCHEMBL28696742 0.66 NSD2 (0.40) MAPTSMN1; SMN2KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871630-B1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO 3,4':4,5]FURO(3,2-b)PYRIDINE-6,8 7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AG (DE) 2002-01-02 EP disclosed
US-6291472-B1 4a, 5a, 8a, 8b-tetrahydro-6H-pyrrolo[3′,4′:4, 5]furo[3,2-b] pyri-dine-6,8(7H)-dione derivatives for control of endoparasites processes for their preparation BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6110928-A HUMAN OR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 US disclosed
EP-0871630-A1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO 3,4':4,5]FURO(3,2-b)PYRIDINE-6,8 7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AG (DE) 1998-10-21 EP disclosed
WO-1997014695-A1 4a,5a,8a,8b-TETRAHYDRO-6H-PYRROLO[3,4':4,5]FURO(3,2-b)PYRIDINE-6,8[7H]-DIONE DERIVATIVES FOR USE IN CONTROLLING ENDOPARASITES AND A METHOD OF PRODUCING SAID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-24 WO disclosed