SCHEMBL13705487

SCHEMBL13705487

CCC/C(=N\Nc1cc(-c2ccccc2)ccc1OC)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCB1 P08183 6/20 0.43
ACLY P53396 5/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
ABCC1 P33527 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LTB4R Q15722 1/20 0.40

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 0.91 KDM4E (0.47) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705498 0.81 MAPT (0.46) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705629 0.81 KDM4E (0.48) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705489 0.76 KDM4E (0.53) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705499 0.75 KMT2A (0.44) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705572 0.75 KDM4E (0.50) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705497 0.74 MAPT (0.48) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL24916802 0.73 MAPT (0.52) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL12230785 0.71 KDM4E (0.68) MAPTKDM4EHPGDLMNAL3MBTL1
SCHEMBL13705494 0.70 AKR1C3 (0.42) MAPTKDM4ELMNAL3MBTL1ALDH1A1

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