Toluene

Toluene

SCHEMBL8664108

CN(C)NC(=O)N=S(=O)=O.Cc1ccccc1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
ACHE P22303 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
Chlorobenzene SCHEMBL8662860 0.85 TSHR (0.37) LMNATSHRRAB9ANPC1KMT2A
SCHEMBL27962767 0.81 KDM7A (0.34)
Toluene SCHEMBL28044613 0.79 LMNA (0.41) LMNATSHRALOX12ACHERAB9A
SCHEMBL27561868 0.73 KMT2A (0.43) LMNAALOX12RAB9AKMT2AMEN1
Toluene SCHEMBL8599249 0.72 LMNA (0.46) LMNATSHRALOX12ACHERAB9A
Toluene SCHEMBL136711 0.71 LMNA (0.55) LMNATSHRALOX12ACHERAB9A
Toluene SCHEMBL28569928 0.71 LMNA (0.55) LMNATSHRALOX12ACHERAB9A
Toluene SCHEMBL27587127 0.68 LMNA (0.58) LMNATSHRALOX12ACHERAB9A
Toluene SCHEMBL5156591 0.68 LMNA (0.41) LMNATSHRALOX12ACHERAB9A
Toluene SCHEMBL5155809 0.68 LMNA (0.41) LMNATSHRALOX12ACHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714889-B1 SULFONYLSEMICARBAZIDE DERIVATIVE AND COMPOSITION FOR KEEPING CUT FLOWER FRESHNESS MEIJI SEIKA KAISHA (JP) 1998-11-25 EP claimed
US-5723407-A Sulfonylsemicarbazide derivatives and preservative composition for preserving the freshness of flower of cut flowers MEIJI SEIKA KAISHA, LTD. (JP) 1998-03-03 US claimed