SCHEMBL9511332

SCHEMBL9511332

O=S(=O)([O-])c1ccc(O)c2ncccc12.O=S(=O)([O-])c1ccc(O)c2ncccc12.O=S(=O)([O-])c1ccc(O)c2ncccc12.O=S(=O)([O-])c1ccc(O)c2ncccc12.O=S(=O)([O-])c1ccc(O)c2ncccc12.O=S(=O)([O-])c1ccc(O)c2ncccc12.[Mo+6]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.77
COMT P21964 6/20 0.71
KDM4E B2RXH2 8/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HSP90AA1 P07900 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
IDO1 P14902 2/20 0.56
CASP6 P55212 2/20 0.56
ATM Q13315 1/20 0.56
KLF5 Q13887 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PSMB5 P28074 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
XBP1 P17861 1/20 0.55

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
SCHEMBL3271681 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
SCHEMBL11129818 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
SCHEMBL10728571 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
SCHEMBL1873348 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
SCHEMBL7151881 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
SCHEMBL7156189 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
Potassium Ion SCHEMBL31267529 0.97 COMT (0.71) FTOCOMTKDM4ENPC1RAB9A
SCHEMBL29456746 0.83 COMT (1.00) FTOCOMTKDM4EMEN1KMT2A
SCHEMBL114961 0.83 COMT (1.00) FTOCOMTKDM4EMEN1KMT2A
Lithium Ion SCHEMBL4624676 0.83 ALDH1A1 (0.53) FTOCOMTKDM4EKMT2AALDH1A1

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
JP-5148435-A None JP disclosed
JP-H05148435-A METHOD FOR ERASING ERASABLE WATER-SOLUBLE INK SCRIPT PENTEL KK 1993-06-15 JP disclosed