SCHEMBL4466334

SCHEMBL4466334

C=C1CCCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
S100A4 P26447 2/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 1/20 0.40
PTPRC P08575 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CNR1 P21554 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
SCHEMBL768880 0.83 MAPT (0.53) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL2214434 0.80 MAPT (0.43) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL4573599 0.79 MAPT (0.53) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL4659345 0.76 MAPT (0.43) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL35211484 0.75 MAPT (0.56) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL166701 0.75 MAPT (0.56) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL31207333 0.75 MEN1 (0.48) MAPTKMT2ATDP1TSHRALDH1A1
SCHEMBL2243721 0.75 MEN1 (0.48) MAPTKMT2ATDP1TSHRALDH1A1
SCHEMBL18329006 0.74 MAPT (0.47) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL16445689 0.72 ALDH1A1 (0.47) MAPTS100A4RECQLKMT2AMCL1

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-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed