SCHEMBL1728035

SCHEMBL1728035

O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 8/20 0.52
NR0B1 P51843 1/20 0.51
LMNA P02545 1/20 0.49
ATM Q13315 2/20 0.47
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1728014 0.86 NPC1 (0.45) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL1727755 0.82 NAMPT (0.53) RAB9ALMNAPKMMEN1KMT2A
SCHEMBL1727677 0.82 NAMPT (0.55) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL1727700 0.78 KMT2A (0.50) RAB9ANPC1LMNAPKMMEN1
SCHEMBL1726833 0.78 KDM4A (0.60) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL1728219 0.78 NAMPT (0.49) RAB9ANPC1MEN1KMT2A
SCHEMBL1727761 0.78 KMT2A (0.41) LMNAMEN1KMT2A
SCHEMBL1726674 0.77 NPC1 (0.52) RAB9ANPC1LMNAATMPKM
SCHEMBL1727814 0.77 AKR1C3 (0.46) MEN1KMT2A
SCHEMBL1727751 0.76 PARP1 (0.43) MEN1KMT2A

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