SCHEMBL8435392

SCHEMBL8435392

Nc1nc2c(sc(=O)n2Cc2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.52
PNP P00491 4/20 0.47
XDH P47989 1/20 0.44
TLR7 Q9NYK1 5/20 0.41
TLR8 Q9NR97 1/20 0.40
ATM Q13315 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8434466 0.89 TYMS (0.53) TYMSPNPTLR7HPGDSMN1; SMN2
SCHEMBL8439184 0.88 PNP (0.61) TYMSPNPXDHTLR7HPGD
SCHEMBL8434883 0.85 PNP (0.44) TYMSPNPTLR7HPGDSMN1; SMN2
SCHEMBL338656 0.81 PNP (0.46) TYMSPNPTLR7HPGDSMN1; SMN2
SCHEMBL13851087 0.76 HPGD (0.51) PNPTLR7HPGD
SCHEMBL10505540 0.76 PNP (0.78) TYMSPNPXDHATMAPOBEC3G
SCHEMBL10506664 0.74 PNP (0.60) TYMSPNPXDH
SCHEMBL22039140 0.74 PNP (0.60) TYMSPNPXDHTLR7TLR8
SCHEMBL339228 0.73 TLR7 (0.47) TLR7MEN1KMT2A
SCHEMBL6977181 0.73 TLR7 (0.38) TLR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994321-A Antiviral guanine analogs ARONEX PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed