SCHEMBL1727755

SCHEMBL1727755

O=C(Nc1ccncc1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.53
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ PRMT1 Q99873 1/20 0.41

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
SCHEMBL1727677 0.89 NAMPT (0.55) NAMPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1727825 0.85 RAB9A (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1727700 0.84 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1PKM
SCHEMBL1728014 0.83 NPC1 (0.45) NAMPTKMT2AMEN1SMN1; SMN2USP2
SCHEMBL1727750 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL1728248 0.83 ADORA3 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1727751 0.83 PARP1 (0.43) KMT2AMEN1ALDH1A1L3MBTL1POLB
SCHEMBL1728035 0.82 RAB9A (0.52) KMT2AMEN1PKMLMNARAB9A
SCHEMBL1727761 0.81 KMT2A (0.41) NAMPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1726839 0.81 RAB9A (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1PKM

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
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