SCHEMBL15005119

SCHEMBL15005119

Nc1nc2c(ncn2-n2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1.[Pt]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 8/20 0.59
▸ PNP P00491 4/20 0.55
▸ TK1 P04183 2/20 0.55
▸ BLM P54132 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ EDNRA P25101 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ HBB P68871 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ VCP P55072 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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
SCHEMBL986800 0.98 XDH (0.60) XDHPNPTK1BLMUSP2
SCHEMBL1825531 0.88 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL72147 0.86 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL1831279 0.86 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL556881 0.85 XDH (0.50) XDHPNPTK1BLMUSP2
SCHEMBL10835122 0.84 XDH (0.61) XDHPNPTK1BLMUSP2
SCHEMBL4426345 0.84 XDH (0.54) XDHPNPTK1BLMUSP2
SCHEMBL79000 0.84 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL7513539 0.83 XDH (0.51) XDHPNPTK1BLMUSP2
SCHEMBL38407 0.83 XDH (0.47) XDHPNPTK1BLMUSP2

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
WO-2013083552-A1 INHIBITION OF CIS-PLATIN INDUCED OTOTOXICITY HANENBERG, HELMUT (US) 2013-06-13 — — WO disclosed
EP-2601945-A1 Inhibition of cis-platin induced ototoxicity Thomale, Jürgen (DE) 2013-06-12 — — EP disclosed
Send feedback