SCHEMBL8630529

SCHEMBL8630529

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CASP6 P55212 1/20 0.33
CHRNA7 P36544 2/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8631378 0.85 MAPK1 (0.39) MAPK1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL8632936 0.84 MAPK1 (0.39) MAPK1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL8630524 0.79 ALDH1A1 (0.47) MAPK1DGAT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8630522 0.79 ALDH1A1 (0.47) MAPK1DGAT1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8633843 0.76 MAPK1 (0.40) MAPK1ALDH1A1MAPTSMN1; SMN2CASP6
SCHEMBL9584697 0.76 MAPK1 (0.40) MAPK1ALDH1A1MAPTSMN1; SMN2CASP6
SCHEMBL8631371 0.75 MAPK1 (0.39) MAPK1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL8631374 0.75 MAPK1 (0.39) MAPK1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL8632932 0.74 MAPK1 (0.39) MAPK1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL8632935 0.74 MAPK1 (0.39) MAPK1ALDH1A1MAPTCYP3A4CYP2D6

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-RE35811-E PESTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-26 US disclosed