Toluene

Toluene

SCHEMBL28998637

Cc1ccccc1.O=[N+]([O-])c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.73
TDP1 Q9NUW8 5/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
HSD17B10 Q99714 1/20 0.53
ERN1 O75460 1/20 0.53
TSHR P16473 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 3/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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 SCHEMBL27711754 0.86 HSD17B10 (0.64) GPR35TDP1HSD17B10TSHRL3MBTL1
SCHEMBL1077970 0.85 GPR35 (1.00) GPR35TDP1CRHBPCRHR2HSD17B10
Nitrophenolate SCHEMBL28104429 0.85 HSD17B10 (0.53) GPR35TDP1CRHBPCRHR2HSD17B10
Trinitrophenol SCHEMBL28048084 0.84 GPR35 (0.64) GPR35TDP1CRHBPCRHR2HSD17B10
SCHEMBL30135314 0.83 GPR35 (0.95) GPR35TDP1CRHBPCRHR2HSD17B10
SCHEMBL11228314 0.83 GPR35 (0.95) GPR35TDP1CRHBPCRHR2HSD17B10
SCHEMBL11228321 0.83 GPR35 (0.95) GPR35TDP1CRHBPCRHR2HSD17B10
Toluene SCHEMBL28299175 0.82 TSHR (0.66) GPR35TDP1HSD17B10TSHRL3MBTL1
SCHEMBL104593 0.80 GPR35 (0.72) GPR35TDP1CRHBPCRHR2HSD17B10
Toluene SCHEMBL27862357 0.80 HSD17B10 (0.83) TDP1HSD17B10TSHRL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102989-A Rapid-curing acrylic adhesive and application thereof 杭州之江有机硅化工有限公司 2023-05-12 CN disclosed