SCHEMBL9035958

SCHEMBL9035958

O=[N+]([O-])c1cc2nccnc2c2[nH]nnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.37
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 1/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
PDE10A Q9Y233 1/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CTSB P07858 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 3/20 0.33
PIM3 Q86V86 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
PTPN11 Q06124 1/20 0.32

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
SCHEMBL9533717 0.78 PIM1 (0.36) PIM1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL9081117 0.72 CASP6 (0.32) CASP6
SCHEMBL3725853 0.72 MAPT (0.42) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL1351219 0.70 POLB (0.50) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL7749986 0.69 PIM1 (0.49) PIM1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10627053 0.68 GPR35 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13318847 0.68 ERN1 (0.38) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL3429308 0.67 ALDH1A1 (0.43) MEN1KMT2APDE10AMAPTALDH1A1
Silver SCHEMBL9638072 0.67 GPR35 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11759765 0.67 MAPT (0.41) MEN1KMT2APDE10AMAPTALDH1A1

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
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed