SCHEMBL2595451

SCHEMBL2595451

O=P(O)(O)c1cccnc1-c1ncccc1P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
PAX8 Q06710 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
PTK2B Q14289 2/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
ALPG P10696 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
SCHEMBL156347 0.80 NPC1 (0.40) TDP1KDM4ENPC1POLBPTK2B
SCHEMBL3359002 0.78 P2RX7 (0.46) TDP1KDM4ENPC1POLBPTK2B
Hydrochloric Acid SCHEMBL9601743 0.74 KDM4E (0.53) TDP1KDM4EBLMKMT2AGAA
SCHEMBL10040004 0.74 KDM4E (0.48) KDM4ENSD2MEN1KMT2APOLB
SCHEMBL2173729 0.72 CA2 (0.55) KDM4ENPC1POLBPTK2BALDH1A1
SCHEMBL29733396 0.72 CA2 (0.55) KDM4ENPC1POLBPTK2BALDH1A1
SCHEMBL9225167 0.71 NPC1 (0.34) NPC1POLBPTK2BALDH1A1RAB9A
SCHEMBL20182011 0.70 KDM4E (0.48) TDP1KDM4EPOLBALDH1A1CA2
SCHEMBL738492 0.70 NPC1 (0.40) KDM4EMEN1KMT2AGAANPC1
SCHEMBL4583539 0.70 KDM4E (0.42) TDP1KDM4EBLMNPC1POLB

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
WO-2011142848-A2 NANOPARTICLE ELECTRODES AND METHODS OF PREPARATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-11-17 WO disclosed