SCHEMBL8632935

SCHEMBL8632935

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 1/20 0.31
CASP6 P55212 1/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL8632932 1.00 MAPK1 (0.39) MAPK1SMN1; SMN2CYP3A4CYP2D6SLC6A2
SCHEMBL8633843 0.82 MAPK1 (0.40) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL9584697 0.82 MAPK1 (0.40) MAPK1SMN1; SMN2KCNH2ALDH1A1MAPT
SCHEMBL8631374 0.81 MAPK1 (0.39) MAPK1SMN1; SMN2CYP3A4CYP2D6SLC6A2
SCHEMBL8631371 0.81 MAPK1 (0.39) MAPK1SMN1; SMN2CYP3A4CYP2D6SLC6A2
SCHEMBL8630524 0.81 ALDH1A1 (0.47) MAPK1SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL8630522 0.81 ALDH1A1 (0.47) MAPK1SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL9583757 0.79 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2ALDH1A1MAPTCASP6
SCHEMBL8634505 0.79 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2ALDH1A1MAPTCASP6
SCHEMBL9864980 0.79 MAPK1 (0.39) MAPK1SMN1; SMN2CYP3A4CYP2D6SLC6A2

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 10 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
JP-2288859-A None JP disclosed
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
JP-H02288859-A INSECTICIDAL NITRO COMPOUND NIPPON TOKUSHU NOYAKU SEIZO KK 1990-11-28 JP 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