Toluene

Toluene

SCHEMBL28616552

Cc1ccc(Oc2ccc(CN)cc2)cc1.Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.59
TEAD4 Q15561 1/20 0.50
MAOB P27338 1/20 0.50
MAPK14 Q16539 1/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
LTA4H P09960 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
EPHX2 P34913 1/20 0.47
PLA2G2A P14555 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL920927 0.92 ST14 (0.68) ST14TEAD4MAOBMAPK14SMN1; SMN2
SCHEMBL29606473 0.90 ST14 (0.65) ST14TEAD4MAOBMAPK14SMN1; SMN2
Hydrochloric Acid SCHEMBL6160193 0.90 ST14 (0.65) ST14TEAD4MAOBALDH1A1TDP1
Methyl Alcohol SCHEMBL28627091 0.88 ST14 (0.63) ST14TEAD4MAOBMAPK14ALDH1A1
SCHEMBL121432 0.86 ST14 (0.71) ST14MAOBLOXL2LTA4HTAAR1
Acetic Acid SCHEMBL28612541 0.85 ST14 (0.55) ST14TEAD4MAOBMAPK14SMN1; SMN2
Hydrochloric Acid SCHEMBL922977 0.84 ST14 (0.68) ST14MAOBLOXL2LTA4HTAAR1
SCHEMBL506995 0.83 ALDH1A1 (0.68) ST14MAOBHTTSMN1; SMN2ALDH1A1
Sulfuric Acid SCHEMBL28616562 0.81 ST14 (0.55) ST14TEAD4MAPK14HTTSMN1; SMN2
SCHEMBL920590 0.81 ST14 (0.55) ST14TEAD4MAOBHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024389-B Preparation method of substituted phenoxybenzylamine compound and pyrazole carboxamide compound 山东海利尔化工有限公司 2021-08-31 CN disclosed
CN-113024389-A Preparation method of substituted phenoxybenzylamine compound and pyrazole carboxamide compound 山东海利尔化工有限公司 2021-06-25 CN disclosed