Toluene

Toluene

SCHEMBL29001023

CCCc1c[nH]nn1.Cc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
ACHE P22303 1/20 0.38
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
TP53 P04637 2/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
CTSK P43235 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CTSS P25774 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31

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 SCHEMBL28293979 0.90 HSD11B1 (0.39) TSHRLMNAALOX12ACHECYP19A1
Benzene SCHEMBL29021518 0.89 CYP19A1 (0.36) CYP19A1ALDH1A1KDM4EHPGDGAA
Toluene SCHEMBL28042722 0.89 KCNH2 (0.42) TSHRCYP19A1CNR2
SCHEMBL2643959 0.85
Phenol SCHEMBL29270100 0.85 CYP19A1 (0.40) TSHRCYP19A1ALDH1A1KDM4EHPGD
Aniline SCHEMBL29068757 0.85 TSHR (0.37) TSHRCYP19A1ALDH1A1KDM4EHPGD
Toluene SCHEMBL28824393 0.80 TSHR (0.35) TSHRLMNAALOX12ACHEHSD17B10
Toluene SCHEMBL28042841 0.79 KCNH2 (0.38) KMT2A
Toluene SCHEMBL28043021 0.78 KCNH2 (0.40) KMT2A
Toluene SCHEMBL28043018 0.78 KCNH2 (0.40) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117702120-A Method for recycling tin stripping liquid on line 广东臻鼎环境科技有限公司 2024-03-15 CN disclosed
CN-117683544-A Etching cleaning agent and etching method for semiconductor silicon oxide deep hole 江阴江化微电子材料股份有限公司 2024-03-12 CN disclosed
CN-117399911-A Processing method of motor rotor 南通沪达机械设备有限公司 2024-01-16 CN disclosed
CN-116130156-A 20kV water tree resistant overhead insulated cable 江苏上上电缆集团有限公司 2023-05-16 CN disclosed