Toluene

Toluene

SCHEMBL11204804

Cc1ccccc1.O=C(O)Cc1noc2ccccc12

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.65
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
KDM4E B2RXH2 3/20 0.65
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 5/20 0.60
TP53 P04637 2/20 0.60
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
MAOB P27338 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 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
Methyl Alcohol SCHEMBL11211940 0.92 MAPT (0.63) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL75124 0.92 MAPT (0.62) MAPTSMN1; SMN2RAB9ANPC1KDM4E
Benzyl Alcohol SCHEMBL11208104 0.84 MAPT (0.54) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4907408 0.84 LMNA (0.55) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL10242664 0.81 SMN1; SMN2 (0.59) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL5697386 0.80 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL14564409 0.80 MAPT (0.78) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL10916558 0.79 SMN1; SMN2 (0.57) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL13337957 0.78 SMN1; SMN2 (0.57) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL23119878 0.78 SMN1; SMN2 (0.56) MAPTSMN1; SMN2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101263128-B Sulfonation method of 1, 2-benzisoxazole-3-acetic acid DAINIPPON SUMITOMO PHARMA CO 2011-02-16 CN disclosed
CN-101263128-A Sulfonation method of 1, 2-benzisoxazole-3-acetic acid DAINIPPON SUMITOMO PHARMA CO (JP) 2008-09-10 CN disclosed
EP-0094833-A2 Novel 1,2-benzisoxazole derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1983-11-23 EP disclosed