SCHEMBL11227799

SCHEMBL11227799

COC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.61
KMT2A Q03164 8/20 0.61
LMNA P02545 7/20 0.61
MEN1 O00255 6/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 4/20 0.61
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HSP90AA1 P07900 1/20 0.61
THRB P10828 1/20 0.61
NPC1 O15118 3/20 0.60
PKM P14618 1/20 0.60
CCR6 P51684 1/20 0.60
NLRP1 Q9C000 1/20 0.60
GPR35 Q9HC97 1/20 0.60
TLR9 Q9NR96 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
RECQL P46063 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60

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
SCHEMBL11227796 1.00 POLB (0.61) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11236031 0.86 ALDH1A1 (0.62) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11236035 0.86 ALDH1A1 (0.62) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11226788 0.84 LMNA (0.60) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11226785 0.84 LMNA (0.60) POLBKMT2ALMNAMEN1MAPT
SCHEMBL10512176 0.83 KMT2A (0.62) POLBKMT2ALMNAMEN1MAPT
SCHEMBL9456431 0.83 KMT2A (0.62) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11227335 0.82 GLO1 (0.70) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11239640 0.82 LMNA (0.53) POLBKMT2ALMNAMEN1MAPT
SCHEMBL11239658 0.82 LMNA (0.53) POLBKMT2ALMNAMEN1MAPT

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
US-4358521-A ELECTROGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1982-11-09 US disclosed