Toluene

Toluene

SCHEMBL27713635

Cc1ccccc1.O=S(=O)(O)Cl.c1ccncc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
ALOX12 P18054 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 3/20 0.41
NAPRT Q6XQN6 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EGFR P00533 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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 SCHEMBL6514880 0.92 TSHR (0.48) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL512992 0.92 TSHR (0.48) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL27551962 0.92 TSHR (0.48) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL27659900 0.90 LMNA (0.46) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL1148280 0.87 LMNA (0.58) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL28202360 0.85 LMNA (0.55) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL28236662 0.85 LMNA (0.55) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL27751750 0.85 LMNA (0.55) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL29249545 0.85 SMN1; SMN2 (0.59) TSHRLMNAALOX12ACHEALDH1A1
Toluene SCHEMBL22071089 0.83 ALDH1A1 (0.55) TSHRLMNAALDH1A1TDP1HSD17B10

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
CN-101123995-B Stilbene derivatives and their use for binding and imaging amyloid plaques UNIV PENNSYLVANIA 2011-11-16 CN disclosed
CN-101123995-A Stilbene derivatives and their use for binding and imaging amyloid plaques UNIV PENNSYLVANIA (US) 2008-02-13 CN disclosed