SCHEMBL10673281

SCHEMBL10673281

CCCCN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ PGR P06401 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ GSK3B P49841 3/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10672193 0.90 KMT2A (0.70) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL29972879 0.88 KMT2A (0.71) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL1446261 0.88 KMT2A (0.71) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10673230 0.84 KMT2A (0.61) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10671563 0.82 KMT2A (0.65) MEN1KMT2APGRALDH1A1KDM4E
Roquinimex SCHEMBL42132 0.79 KMT2A (1.00) MEN1KMT2APGRALDH1A1KDM4E
Roquinimex SCHEMBL29359144 0.79 KMT2A (1.00) MEN1KMT2APGRALDH1A1KDM4E
Roquinimex SCHEMBL8169579 0.79 KMT2A (1.00) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL19628902 0.78 MEN1 (0.48) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10676909 0.77 MEN1 (0.56) MEN1KMT2APGRALDH1A1KDM4E

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
US-4738971-A ENHANCED CELL-MEDIATED IMMUNITY; ANTIARTHRITIC AGENTS; NONTOXIC AKTIEBOLASET LEO (SE) 1988-04-19 — — US disclosed
US-4547511-A FOR ENHANCIN CELL-MEDIATED IMMUNITY AKTIEBOLAGET LEO (SE) 1985-10-15 — — US disclosed
EP-0059698-B1 HETEROCYCLIC CARBOXAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND METHODS OF TREATMENT THEREWITH AB LEO (SE) 1985-09-25 — — EP disclosed
EP-0059698-A1 Heterocyclic carboxamides, compositions containing such compounds, processes for their preparation and methods of treatment therewith AB LEO (SE) 1982-09-08 — — EP disclosed
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