Toluene

Toluene

SCHEMBL8979310

CO.Cc1ccccc1.ClCCl.N

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.61
LMNA P02545 3/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.37

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
Toluene SCHEMBL5671767 0.97 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL8213424 0.94 ACHE (0.61) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL5595092 0.91 ACHE (0.73) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL11448382 0.91 ACHE (0.73) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL330032 0.91 ACHE (0.73) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL27708439 0.88 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28260985 0.88 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28126829 0.88 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL9410087 0.86 LMNA (0.58) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28673606 0.86 ACHE (0.65) ACHELMNATSHRALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585440-B1 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ACTIVE ON THE CARDIOVASCULAR SYSTEM, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON SPA (IT) 1996-05-08 EP disclosed
US-5451608-A 2-amino-1,2,3,4-tetrahydronaphthalene derivatives active on the cardiovasular system, processes for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.P.A. (IT) 1995-09-19 US disclosed
US-5407956-A Hypotensive agents, kidney disorders ZAMBON GROUP S.P.A. (IT) 1995-04-18 US disclosed
EP-0585440-A1 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ACTIVE ON THE CARDIOVASCULAR SYSTEM, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. ZAMBON SPA (IT) 1994-03-09 EP disclosed