SCHEMBL7329904

SCHEMBL7329904

CC(=O)Cc1nc2[nH]c(=S)[nH]c(=O)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
BRPF1 P55201 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NSD2 O96028 1/20 0.35
CASP6 P55212 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PIM1 P11309 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 3/20 0.33
PPARG P37231 2/20 0.33
NCOA2 Q15596 2/20 0.33
NCOA1 Q15788 2/20 0.33
NCOA3 Q9Y6Q9 2/20 0.33

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
SCHEMBL7326384 0.84 MAPT (0.43) XDHMAPTALDH1A1TDP1PIM1
SCHEMBL13728720 0.75 XDH (0.43) XDHALDH1A1PKMKMT2APOLB
SCHEMBL6265336 0.72 PNP (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5183529 0.71 XDH (0.42) XDHMAPTGAAKDM4EALDH1A1
SCHEMBL8700368 0.70 MAPT (0.42) XDHMAPTKDM4EALDH1A1TDP1
SCHEMBL4014478 0.68 MAPT (0.40) XDHMAPTALDH1A1
SCHEMBL9721482 0.67 CYP2C19 (0.41) XDHMAPTALDH1A1TDP1POLB
SCHEMBL24559208 0.66 USP2 (0.44) XDHGAAALDH1A1PKMMEN1
SCHEMBL159446 0.65 MAPT (0.68) XDHMAPTGAAKDM4EALDH1A1
SCHEMBL22522023 0.65 XDH (0.42) XDHGAAMEN1KMT2A

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-0485495-A1 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA Beecham Group p.l.c. (GB) 1992-05-20 EP disclosed
WO-1991001730-A2 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA BEECHAM GROUP PLC (GB) 1991-02-21 WO disclosed