SCHEMBL1684047

SCHEMBL1684047

Nc1nc(C(=O)O)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.38
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 2/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 3/20 0.31
KDM5A P29375 1/20 0.31
JMJD1C Q15652 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31
PNP P00491 1/20 0.31
KMT2A Q03164 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PDPK1 O15530 1/20 0.30
NAPRT Q6XQN6 1/20 0.30

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
SCHEMBL3630345 0.85 GDA (0.37) GDAPARP1GAAPNP
SCHEMBL453562 0.82 POLB (0.44) HSD17B10GAAKDM4EPDPK1
SCHEMBL8506347 0.81 GDA (0.34) GDA
SCHEMBL8505965 0.80 GDA (0.33) GDA
SCHEMBL27473136 0.79 GABRR1 (0.35) GDACYP2C19HSD17B10PARP1GAA
SCHEMBL9393663 0.79 ADORA2A (0.46) GDAGAA
SCHEMBL20508956 0.77 TDP1 (0.37) GAAKMT2A
SCHEMBL5694198 0.76 ALOX15 (0.40) GAAKDM4EKMT2A
SCHEMBL8592141 0.76 CYP1A2 (0.44) GDACYP2C19HSD17B10PARP1GAA
SCHEMBL8581230 0.75 KMT2A (0.45) KDM4EKMT2AEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000036-B2 Compositions and methods for targeting of treating neoplasms Yu, Baofa (US) 2015-04-07 US disclosed
US-20140037695-A1 COMPOSITIONS AND METHODS FOR TARGETING OF TREATING NEOPLASMS YU, BAOFA 2014-02-06 US disclosed
US-8501243-B2 Targeting cancer therapy combination YU, BAOFA 2013-08-06 US disclosed
US-7927612-B2 Mixture of an oxidizing agent or a reducing agent, a protein denaturing agent, and a hapten; can be used with other anticancer treatments such as radiotherapy, chemotherapy; coagulate tumors and enhance inflammatory response against systemic tumors at multiple sites Yu, Baofa (US) 2011-04-19 US disclosed
US-20100104660-A1 COMPOSITION AND METHOD FOR TREATING TUMOR YU, BAOFA 2010-04-29 US disclosed
CN-101138634-A Composition for treating tumour BAOFA YU (CN) 2008-03-12 CN disclosed
CN-1273146-C Composition for treating tumor YU BAOFA (US) 2006-09-06 CN disclosed
US-20050118187-A1 Combinations and methods for treating neoplasms YU, BAOFA 2005-06-02 US disclosed
US-6811788-B2 ONE OR MORE HAPTENS AND COAGULATION AGENTS OR TREATMENTS, ALONE OR IN COMBINATION WITH OTHER ANTI-NEOPLASTIC AGENTS OR TREATMENTS Yu, Baofa 2004-11-02 US disclosed
CN-1431909-A Combinations for treating neoplasms YU BAOFA (US) 2003-07-23 CN disclosed