SCHEMBL1728014

SCHEMBL1728014

O=C(Nc1ccccc1O)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NAMPT P43490 1/20 0.39
CNR1 P21554 2/20 0.39
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.37
CREBBP Q92793 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 1/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL1727761 0.89 KMT2A (0.41) MEN1KMT2ANAMPTGAAPOLB
SCHEMBL1728187 0.87 ALDH1A1 (0.53) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL1728035 0.86 RAB9A (0.52) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL1727700 0.83 KMT2A (0.50) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL1727755 0.83 NAMPT (0.53) MEN1KMT2ARAB9ANAMPTPOLB
SCHEMBL1727814 0.81 AKR1C3 (0.46) MEN1KMT2AGAACA2
SCHEMBL1727751 0.81 PARP1 (0.43) MEN1KMT2APOLBL3MBTL1HTT
SCHEMBL1727750 0.81 KMT2A (0.47) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL1727825 0.81 RAB9A (0.52) NPC1MEN1KMT2ARAB9ATP53
SCHEMBL1728248 0.81 ADORA3 (0.54) NPC1MEN1KMT2ARAB9ATP53

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