SCHEMBL13705490

SCHEMBL13705490

CC/C(=N\Nc1cccc(-c2ccccc2)c1)[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ALOX12 P18054 2/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.43
GAA P10253 3/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.43
MGLL Q99685 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 1/20 0.41
DHODH Q02127 2/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL13705493 0.86 ALDH1A1 (0.45) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL13705499 0.81 KMT2A (0.44) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL13705486 0.78 KDM4E (0.47) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL13705592 0.76 MGLL (0.45) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL13705494 0.72 AKR1C3 (0.42) ALDH1A1MAPTKMT2AHTTLMNA
SCHEMBL11370080 0.70 GAA (0.49) ALDH1A1HPGDMAPTKMT2AGAA
SCHEMBL13705496 0.68 MAPT (0.38) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL8404715 0.67 L3MBTL1 (0.67) ALDH1A1MAPTKMT2AGAAMGLL
SCHEMBL10494615 0.65 MGLL (0.52) ALDH1A1MAPTKMT2AGAAMGLL
SCHEMBL30026877 0.65 ALDH1A1 (0.54) ALDH1A1ALOX12HPGDMAPTKMT2A

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