SCHEMBL7009198

SCHEMBL7009198

CC(C)C(C([NH])=O)N1C(=O)c2cccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 7/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL23309745 0.69 HPGD (0.66) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL21851971 0.67 KMT2A (0.69) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL7439085 0.67 MEN1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14198603 0.67 KMT2A (0.79) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL23273280 0.67 ALOX15 (0.51) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL23273330 0.67 ALOX15 (0.51) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL21761667 0.66 HPGD (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL19359219 0.65 TP53 (0.60) KMT2AALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL1927731 0.65 TP53 (0.60) KMT2AALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL7837431 0.65 HDAC8 (0.77) MEN1KMT2AALDH1A1KDM4ETSHR

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-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 — — EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 — — WO disclosed
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