Toluene

Toluene

SCHEMBL7981838

Cc1ccccc1.O=[N+]([O-])C=C1NC=CCN1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.33
ACHE P22303 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HPRT1 P00492 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7993736 0.87
Toluene SCHEMBL28016819 0.66 LMNA (0.50) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL28836329 0.65 TSHR (0.61) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL574733 0.65 TSHR (0.61) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL28473844 0.65 TSHR (0.61) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL28394519 0.65 TSHR (0.61) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL27924375 0.65 TSHR (0.61) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL11742214 0.63 ACHE (0.58) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL11745380 0.63 ACHE (0.58) FBP1ACHETSHRLMNAALOX12
Toluene SCHEMBL5351746 0.63 ACHE (0.58) FBP1ACHETSHRLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed