SCHEMBL9584697

SCHEMBL9584697

CC(N/C(N)=C/[N+](=O)[O-])c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
CASP6 P55212 1/20 0.32
PPARG P37231 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRNA7 P36544 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
SCHEMBL8633843 1.00 MAPK1 (0.40) MAPK1SMN1; SMN2OPRM1OPRK1KCNH2
SCHEMBL8631374 0.84 MAPK1 (0.39) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL8631371 0.84 MAPK1 (0.39) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL8630522 0.82 ALDH1A1 (0.47) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL8632932 0.82 MAPK1 (0.39) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL8632935 0.82 MAPK1 (0.39) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL8630524 0.82 ALDH1A1 (0.47) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL9864980 0.81 MAPK1 (0.39) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL1747669 0.80 SMN1; SMN2 (0.36) SMN1; SMN2OPRM1OPRK1KCNH2ALDH1A1
SCHEMBL1747672 0.80 SMN1; SMN2 (0.36) SMN1; SMN2OPRM1OPRK1KCNH2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375907-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-07-04 EP claimed
US-5238949-A Insecticidally active nitro pyridyl compounds NIHON BAYER AGROCHEM K.K. (JP) 1993-08-24 US disclosed
US-5051434-A Pyridyl, thiazolyl, thiadiazolyl, pyrimidinyl or isooxazolyl groups NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-09-24 US disclosed
EP-0375907-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-07-04 EP disclosed