SCHEMBL11046676

SCHEMBL11046676

CCC(C)NP(=S)(OC)Oc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HCAR3 P49019 1/20 0.36
MEN1 O00255 1/20 0.35

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
Butamifos SCHEMBL29889547 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
Butamifos SCHEMBL54426 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL8567473 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
Butamifos SCHEMBL14843942 0.83 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL8567480 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL8567477 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL11805130 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL11800425 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL9177303 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4
SCHEMBL10983384 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1L3MBTL1CYP3A4

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-4447260-A N-Substituted phenyl-1-methylcyclopropanecarboxamides, and their herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-08 US disclosed
US-4427596-A POSTEMERGENCE HERBICIDES; NONPHYTOTOXIC; SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-24 US disclosed
US-4381935-A POSTEMERGENCE HERBICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-03 US disclosed
US-4378992-A Urea derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-05 US disclosed
US-4315768-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-02-16 US disclosed
EP-0037106-A2 N-(2-(cyclopropyl)ethoxy)phenylanilide derivatives, their production, herbicidal compositions and their use, N-(2-(cyclopropyl)ethoxy)-aniline compounds and N-(2-(cyclopropyl)ethoxy)nitrobenzene compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-07 EP disclosed
EP-0017706-A2 N'-Phenyl-N-methylurea derivatives, processes for their preparation and their uses as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-29 EP disclosed