SCHEMBL1728020

SCHEMBL1728020

Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C4CCc5ccccc5N4)cc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 6/20 0.60
LMNA P02545 5/20 0.60
PHGDH O43175 6/20 0.52
ALDH1A1 P00352 4/20 0.51
USP2 O75604 2/20 0.51
KDM4E B2RXH2 5/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ESR1 P03372 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
GALR3 O60755 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1726841 0.93 PHGDH (0.60) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1728487 0.91 MEN1 (0.51) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1726833 0.86 KDM4A (0.60) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1727760 0.83 MEN1 (0.44) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1727655 0.80 SMN1; SMN2 (0.59) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1728489 0.79 KDM4A (0.62) SMN1; SMN2MAPTLMNAUSP2KDM4E
SCHEMBL1728185 0.79 MAPT (0.55) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1728252 0.78 ADORA3 (0.63) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1726609 0.77 MAPT (0.54) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL1726674 0.77 NPC1 (0.52) KMT2AMEN1SMN1; SMN2MAPTLMNA

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