SCHEMBL13705496

SCHEMBL13705496

CC/C(=N/Nc1ccc(Cl)nc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNQ3 O43525 6/20 0.37
KCNQ2 O43526 6/20 0.37
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
ALOX12 P18054 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BACE1 P56817 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11052440 0.78 CYP3A4 (0.48) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL27438340 0.68 KCNQ3 (0.41) KMT2AMEN1ALDH1A1LMNAKCNQ3
SCHEMBL13705490 0.68 ALDH1A1 (0.54) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL12182424 0.67 ALDH1A1 (0.57) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL27313063 0.65 KCNQ3 (0.43) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7662714 0.65 RRM2 (0.44) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL4442545 0.64 ADRA2A (0.49) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL27928111 0.63 KCNQ3 (0.41) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7663627 0.63 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL7663631 0.63 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1GAA

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