SCHEMBL9669306

SCHEMBL9669306

CCC(=O)C(=O)Nc1ccc2ccccc2c1NC(=O)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 5/20 0.46
ABCC9 O60706 3/20 0.46
ABCC8 Q09428 3/20 0.46
KCNJ8 Q15842 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 5/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL9398069 0.84 ALDH1A1 (0.62) ALDH1A1HPGDEPHX1KMT2AMEN1
SCHEMBL9670565 0.80 HSP90AA1 (0.50) ALDH1A1HPGDEPHX1KMT2AMEN1
SCHEMBL9747776 0.77 NCEH1 (0.41) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL776594 0.77 KCNJ11 (0.63) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL11610785 0.75 ALDH1A1 (0.50) ALDH1A1HPGDEPHX1KMT2AMEN1
SCHEMBL10447849 0.75 ALDH1A1 (0.71) KCNJ11ALDH1A1HPGDKMT2AMEN1
SCHEMBL18415509 0.74 TSHR (0.48) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL11116162 0.74 CYP1A2 (0.46) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL9665541 0.73 KMT2A (0.50) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1
SCHEMBL775301 0.73 SMN1; SMN2 (0.56) KCNJ11ABCC9ABCC8KCNJ8ALDH1A1

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-0283959-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-02 EP disclosed
US-4912108-A Containing hydroxy substitution A/S FERROSAN (DK) 1990-03-27 US disclosed
US-4889855-A ADMINISTERING GLUTAMATE ANTAGONIST TO INHIBIT HYPERACTIVITY OF EXCITATORY NEUROTRANSMITTERS A/S FERROSAN (DK) 1989-12-26 US disclosed
EP-0283959-A1 Heterocyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-09-28 EP disclosed