SCHEMBL5164579

SCHEMBL5164579

CCNc1c(C(=O)N(CC)c2ccccc2)c(=O)n(C)c2cccc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.43
▸ KMT2A Q03164 8/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAP3K5 Q99683 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ YWHAG P61981 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PGR P06401 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36

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
SCHEMBL5165395 0.89 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MAP3K5MAPT
SCHEMBL5163582 0.85 MEN1 (0.49) MEN1KMT2AMAP3K5MAPTL3MBTL1
SCHEMBL5166395 0.78 TP53 (0.47) MEN1KMT2ASMN1; SMN2MAP3K5PGR
SCHEMBL19114839 0.78 TP53 (0.49) MEN1KMT2ASMN1; SMN2MAP3K5MAPT
SCHEMBL5180583 0.77 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAP3K5MAPT
SCHEMBL15190559 0.76 MEN1 (0.51) MEN1KMT2AMAP3K5MAPTL3MBTL1
SCHEMBL5164257 0.75 MEN1 (0.50) MEN1KMT2AMAP3K5MAPTL3MBTL1
Paquinimod SCHEMBL1573633 0.75 MEN1 (0.50) MEN1KMT2AMAP3K5MAPTL3MBTL1
Paquinimod SCHEMBL29362498 0.75 MEN1 (0.50) MEN1KMT2AMAP3K5MAPTL3MBTL1
SCHEMBL19114836 0.75 TP53 (0.51) MEN1KMT2ASMN1; SMN2MAP3K5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224172-B1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2007-04-04 — — EP disclosed
US-6395750-B1 Includes laquinimod, N-ethyl-N-phenyl-1,2-dihydro-4-hydroxy-5-chloro-1-methyl-2-oxo-quinoline-3-carboxamide and its salts; breat or prostate cancer ACTIVE BIOTECH AB (SE) 2002-05-28 — — US disclosed
Send feedback