SCHEMBL3657062

SCHEMBL3657062

CC(=O)CC(Nc1nc2ccccc2nc1Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GCG P01275 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TACR3 P29371 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 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
SCHEMBL12165806 0.82 LMNA (0.50) RXFP1KDM4EL3MBTL1NPSR1SMN1; SMN2
SCHEMBL3654673 0.80 KDM4E (0.43) RXFP1KDM4EL3MBTL1NPSR1SMN1; SMN2
SCHEMBL3655710 0.75 KDM4E (0.49) RXFP1KDM4EL3MBTL1NPSR1SMN1; SMN2
SCHEMBL27929589 0.74 KMT2A (0.43) KDM4ENPSR1LMNAALDH1A1POLB
SCHEMBL27979447 0.71 MAPT (0.50) KDM4ENPSR1SMN1; SMN2LMNAMEN1
SCHEMBL27979450 0.70 ALDH1A1 (0.56) NPSR1LMNAALDH1A1HPGDMEN1
SCHEMBL24115263 0.70 ALDH1A1 (0.57) KDM4ELMNAALDH1A1HPGDPOLB
SCHEMBL13593226 0.70 ALDH1A1 (0.57) KDM4ELMNAALDH1A1HPGDPOLB
SCHEMBL4628700 0.69 KMT2A (0.58) L3MBTL1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL10962850 0.69 KMT2A (0.51) KDM4EL3MBTL1SMN1; SMN2LMNAALDH1A1

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-2205602-A1 IMIDAZOÝL,2- ¨QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS Université de Montpellier I (FR) 2010-07-14 — — EP disclosed
WO-2009043934-A1 IMIDAZO[L,2-α]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIVERSITE DE MONTPELLIER I (FR) 2009-04-09 — — WO disclosed
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