SCHEMBL10671907

SCHEMBL10671907

CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ PGR P06401 1/20 0.74
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.50
▸ SRC P12931 1/20 0.50
▸ HDAC4 P56524 1/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MET P08581 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ NLRP3 Q96P20 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSPO P30536 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL10669919 0.86 MEN1 (0.85) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10676764 0.86 MEN1 (0.85) MEN1KMT2APGRALDH1A1KDM4E
Roquinimex SCHEMBL8169579 0.86 KMT2A (1.00) MEN1KMT2APGRALDH1A1KDM4E
Roquinimex SCHEMBL29359144 0.86 KMT2A (1.00) MEN1KMT2APGRALDH1A1KDM4E
Roquinimex SCHEMBL42132 0.86 KMT2A (1.00) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10668823 0.84 KMT2A (0.81) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10674851 0.84 MEN1 (0.81) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10669413 0.84 MEN1 (0.81) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL10671529 0.84 MEN1 (0.81) MEN1KMT2APGRALDH1A1KDM4E
SCHEMBL9200536 0.83 MEN1 (0.52) 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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