SCHEMBL9864980

SCHEMBL9864980

CCNC(=C[N+](=O)[O-])NC(C)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.39
CASP6 P55212 1/20 0.34
QPCTL Q9NXS2 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
ACACB O00763 1/20 0.32
PPARG P37231 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL8631371 0.87 MAPK1 (0.39) MAPK1CASP6LMNAALDH1A1MAPT
SCHEMBL8631374 0.87 MAPK1 (0.39) MAPK1CASP6LMNAALDH1A1MAPT
SCHEMBL1747740 0.81 CASP6 (0.33) CASP6ALDH1A1MAPTMEN1KMT2A
SCHEMBL1747741 0.81 CASP6 (0.33) CASP6ALDH1A1MAPTMEN1KMT2A
SCHEMBL1747742 0.81 CASP6 (0.33) CASP6ALDH1A1MAPTMEN1KMT2A
SCHEMBL8633843 0.81 MAPK1 (0.40) MAPK1CASP6LMNAALDH1A1MAPT
SCHEMBL9584697 0.81 MAPK1 (0.40) MAPK1CASP6LMNAALDH1A1MAPT
SCHEMBL8632932 0.79 MAPK1 (0.39) MAPK1CASP6LMNAALDH1A1MAPT
SCHEMBL8630522 0.79 ALDH1A1 (0.47) MAPK1CASP6LMNAALDH1A1MAPT
SCHEMBL8632935 0.79 MAPK1 (0.39) MAPK1CASP6LMNAALDH1A1MAPT

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-5023259-A Pesticides, insecticides CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed