SCHEMBL8630522

SCHEMBL8630522

CS/C(=C\[N+](=O)[O-])NC(C)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 8/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
DGAT1 O75907 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
PPARG P37231 1/20 0.31
CASP6 P55212 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
SCHEMBL8630524 1.00 ALDH1A1 (0.47) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8633843 0.82 MAPK1 (0.40) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL9584697 0.82 MAPK1 (0.40) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8631374 0.81 MAPK1 (0.39) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8631371 0.81 MAPK1 (0.39) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8632935 0.81 MAPK1 (0.39) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8632932 0.81 MAPK1 (0.39) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL8630529 0.79 MAPK1 (0.39) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL9864980 0.79 MAPK1 (0.39) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL7665659 0.77 ALDH1A1 (0.70) ALDH1A1MAPTHTTLMNASMN1; SMN2

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 7 patents. 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
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
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