SCHEMBL13705498

SCHEMBL13705498

COc1ccc(-c2ccccc2)cc1N/N=C(/C(C)C)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ABCB1 P08183 6/20 0.45
ACLY P53396 6/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
ABCC1 P33527 4/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13705486 0.82 KDM4E (0.47) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL13705487 0.81 MAPT (0.46) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL13705497 0.77 MAPT (0.48) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL24916802 0.76 MAPT (0.52) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL13705489 0.74 KDM4E (0.53) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL27653490 0.74 KMT2A (0.54) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL13705572 0.73 KDM4E (0.50) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL13705629 0.71 KDM4E (0.48) MAPTKDM4EHPGDALDH1A1KMT2A
SCHEMBL9119093 0.70 ABCB1 (0.57) MAPTHPGDALDH1A1KMT2ATDP1
SCHEMBL13705570 0.69 KDM4E (0.51) MAPTKDM4EHPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592374-B2 Insecticidal nitromethylene compounds CROMPTON CORPORATION (US) 2009-09-22 US disclosed
US-7592374-B2 Insecticidal nitromethylene compounds CROMPTON CORPORATION (US) 2009-09-22 US disclosed