SCHEMBL9190604

SCHEMBL9190604

CC(C)=CCN1C(=O)CC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.42
KMT2A Q03164 12/20 0.42
MAPT P10636 11/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
DNMT1 P26358 1/20 0.40
PTPN7 P35236 1/20 0.40
HBB P68871 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL5160503 0.76 MAPT (0.42) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL6976927 0.74 MAPT (0.44) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL596451 0.73 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL14185382 0.72 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL145904 0.72 MAPT (0.49) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL11181047 0.72 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL7593051 0.72 MAPT (0.47) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL7864240 0.71 MAPT (0.47) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL3294487 0.69 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL8415311 0.69 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430065-B1 Barbiturate assay compositions and methods ABBOTT LAB (US) 1995-11-15 EP disclosed
US-5099020-A Immunoassay with fluorescent compounds ABBOTT LABORATORIES (US) 1992-03-24 US disclosed
US-5096838-A Fluorescent tracers for detection of barbiturates and for antiserums ABBOTT LABORATORIES (US) 1992-03-17 US disclosed
EP-0430065-A2 Barbiturate assay compositions and methods ABBOTT LABORATORIES (US) 1991-06-05 EP disclosed