Toluene

Toluene

SCHEMBL28166179

CCN(CC)C(=S)SCc1ccccc1.Cc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.53
ALDH1A1 P00352 4/20 0.53
PKM P14618 4/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL148444 0.93 MGLL (0.59) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL11949111 0.88 IDO1 (0.50) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL19468018 0.87 MGLL (0.56) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL19468028 0.86 TAAR1 (0.54) MGLLALDH1A1PKMNPC1RAB9A
Toluene SCHEMBL27450108 0.85 SMN1; SMN2 (0.55) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL28365172 0.84 MGLL (0.54) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL3143432 0.84 MGLL (0.56) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL19468041 0.84 SMN1; SMN2 (0.51) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL8861510 0.83 ALDH1A1 (0.51) MGLLALDH1A1PKMNPC1RAB9A
SCHEMBL19468097 0.80 NPC1 (0.48) MGLLALDH1A1PKMNPC1RAB9A

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-107108797-A Bromine-containing polymer and process for producing the same 玛耐科股份有限公司 2017-08-29 CN disclosed