SCHEMBL1728185

SCHEMBL1728185

O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)C2CCc3ccccc3N2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SCD O00767 7/20 0.53
KDM4E B2RXH2 5/20 0.51
HTT P42858 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MMP13 P45452 1/20 0.50
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LRRK2 Q5S007 1/20 0.47
TOP1 P11387 1/20 0.47
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL1727655 0.90 SMN1; SMN2 (0.59) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1727944 0.90 LRRK2 (0.59) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1726609 0.87 MAPT (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1728196 0.82 LMNA (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1726841 0.82 PHGDH (0.60) MAPTMEN1KMT2ASMN1; SMN2SCD
SCHEMBL1727649 0.81 MEN1 (0.60) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1726833 0.80 KDM4A (0.60) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1728020 0.79 KMT2A (0.60) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1727755 0.79 NAMPT (0.53) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1728014 0.78 NPC1 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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