SCHEMBL1728487

SCHEMBL1728487

CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C4CCc5ccccc5N4)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
MAPT P10636 7/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
GAA P10253 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.50
PHGDH O43175 8/20 0.49
NAMPT P43490 1/20 0.49
ESR1 P03372 1/20 0.48
HPGD P15428 1/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL1728020 0.91 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1726841 0.91 PHGDH (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1726833 0.84 KDM4A (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1727760 0.81 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1727750 0.79 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL1727761 0.78 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1728489 0.77 KDM4A (0.62) MAPTKDM4ESMN1; SMN2TDP1LMNA
SCHEMBL1728185 0.77 MAPT (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL16607135 0.77 ALDH1A1 (0.76) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1727755 0.76 NAMPT (0.53) MEN1KMT2AALDH1A1KDM4EHTT

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-2403499-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL Stemsynergy Therapeutics, Inc (US) 2012-01-11 EP disclosed
WO-2010101964-A2 METHODS AND COMPOSITIONS USEFUL IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS, INC (US) 2010-09-10 WO disclosed