Toluene

Toluene

SCHEMBL28564934

Cc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ACHE P22303 3/20 0.65
LMNA P02545 1/20 0.65
ALOX12 P18054 1/20 0.65
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP2C19 P33261 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
ATM Q13315 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
Toluene SCHEMBL14537407 1.00 TSHR (0.65) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL13990423 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL10065556 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL57176 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL13515157 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL16707568 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL12154508 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL43023 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL6139963 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL261308 0.92 ALDH1A1 (0.56) TSHRACHELMNAALOX12ALDH1A1

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-112892477-A Preparation and application of nitrogen-rich porous activated carbon adsorbent derived from microporous polymer 武汉金特明新材料科技有限公司 2021-06-04 CN disclosed