SCHEMBL10909339

SCHEMBL10909339

O=C(Nc1nc[nH]n1)c1cc(O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA7 P43166 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 5/20 0.49
P2RX1 P51575 3/20 0.46
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
SNCA P37840 1/20 0.40
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
KCNMA1 Q12791 5/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
P2RX4 Q99571 1/20 0.37

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
SCHEMBL10912687 0.86 P2RX1 (0.52) P2RX1ALDH1A1LMNAKDM4EGAA
SCHEMBL3956668 0.86 GRM5 (0.51) P2RX1KCNMA1LMNAGAATMPRSS4
SCHEMBL10574633 0.86 P2RX1 (0.56) P2RX1KCNMA1P2RX4P2RX7TMPRSS4
SCHEMBL79490 0.82 KDM4E (0.52) ALDH1A1LMNAKDM4EGAA
SCHEMBL11662498 0.81 L1CAM (0.50) CA1CA9ALDH1A1GFERLMNA
SCHEMBL3957238 0.81 KLKB1 (0.52) ALDH1A1LMNAGAA
SCHEMBL3957815 0.78 MDH1 (0.44) P2RX1
SCHEMBL3957819 0.74 CNR1 (0.46) NAAA
SCHEMBL13893447 0.72 BRD4 (0.57) ALDH1A1LMNAKDM4EGAA
SCHEMBL13893379 0.72 NPC1 (0.60) ALDH1A1LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997551-A OXIDATION RESISTANCE, STABILIZE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1976-12-14 US claimed
EP-0094091-B1 STABILIZED POLY(ARYLENE SULFIDE) COMPOSITION, PROCESS FOR MELT EXTRUDING SUCH COMPOSITION AND USE OF TRIAZOLE STABILIZERS IN POLY(ARYLENE SULFIDE) RESINS PHILLIPS PETROLEUM COMPANY (US) 1986-07-16 EP disclosed
US-4478969-A ADDITION OF AN AMIDO TRIAZOLE TO POLY-PHENYLENE SULFIDE PHILLIPS PETROLEUM COMPANY (US) 1984-10-23 US disclosed
EP-0094091-A1 Stabilized poly(arylene sulfide) composition, process for melt extruding such composition and use of triazole stabilizers in poly(arylene sulfide) resins PHILLIPS PETROLEUM COMPANY (US) 1983-11-16 EP disclosed