SCHEMBL8631374

SCHEMBL8631374

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CASP6 P55212 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.32
PPARG P37231 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 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 1.00 MAPK1 (0.39) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL9864980 0.87 MAPK1 (0.39) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL9864816 0.84 KCNK3 (0.35) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL9584697 0.84 MAPK1 (0.40) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL8633843 0.84 MAPK1 (0.40) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL9864447 0.81 ALDH1A1 (0.34) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL8632932 0.81 MAPK1 (0.39) MAPK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8632935 0.81 MAPK1 (0.39) MAPK1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8630522 0.81 ALDH1A1 (0.47) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL8630524 0.81 ALDH1A1 (0.47) MAPK1ALDH1A1MAPTLMNAMEN1

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 9 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-RE35811-E PESTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-26 US disclosed
US-5238949-A Insecticidally active nitro pyridyl compounds NIHON BAYER AGROCHEM K.K. (JP) 1993-08-24 US disclosed
US-5204359-A Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5084467-A INSECTICIDALLY ACTIVE NITRO GUANIDINE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-01-28 US disclosed
US-5051434-A Pyridyl, thiazolyl, thiadiazolyl, pyrimidinyl or isooxazolyl groups NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-09-24 US disclosed
US-5023259-A Pesticides, insecticides CIBA-GEIGY CORPORATION (US) 1991-06-11 US disclosed
EP-0383091-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-08-22 EP disclosed
EP-0375907-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-07-04 EP disclosed