SCHEMBL4960684

SCHEMBL4960684

O=C(O)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.59
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 2/20 0.54
KCNMA1 Q12791 1/20 0.52
HTT P42858 2/20 0.51
GRM4 Q14833 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
RORC P51449 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NCOA1 Q15788 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL4960692 1.00 P2RX1 (0.59) P2RX1MEN1KMT2ARAB9AKCNMA1
SCHEMBL4960624 0.95 P2RX1 (0.62) P2RX1MEN1KMT2ARAB9AKCNMA1
SCHEMBL4960611 0.95 P2RX1 (0.62) P2RX1MEN1KMT2ARAB9AKCNMA1
SCHEMBL5668775 0.85 KCNMA1 (0.61) P2RX1MEN1KMT2AKCNMA1HTT
SCHEMBL5666838 0.84 P2RX1 (0.69) P2RX1MEN1KMT2ARAB9AHTT
SCHEMBL5900771 0.84 MEN1 (0.65) P2RX1MEN1KMT2ARAB9AHTT
SCHEMBL5666677 0.84 KDM4E (0.70) P2RX1MEN1KMT2ARAB9AKCNMA1
SCHEMBL1964469 0.83 RORC (0.62) P2RX1MEN1KMT2AKCNMA1HTT
SCHEMBL5668773 0.82 P2RX1 (0.66) P2RX1MEN1KMT2ARAB9AHTT
SCHEMBL31583073 0.82 P2RX1 (0.66) P2RX1MEN1KMT2ARAB9AHTT

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-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed