Toluene

Toluene

SCHEMBL28417697

Cc1ccccc1.Clc1ccc2nc(Cl)cnc2c1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HRH4 Q9H3N8 2/20 0.44
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
ADORA1 P30542 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AB1 P08238 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL29580471 0.86 ALDH1A1 (0.55) ALDH1A1HRH4MAPTKDM4EMEN1
SCHEMBL346120 0.86 ALDH1A1 (0.55) ALDH1A1HRH4MAPTKDM4EMEN1
Ammonia Solution, Strong SCHEMBL28148393 0.84 ALDH1A1 (0.53) ALDH1A1HRH4MAPTKDM4EMEN1
SCHEMBL557898 0.79 ALDH1A1 (0.62) ALDH1A1HRH4MAPTKDM4EKMT2A
SCHEMBL629503 0.79 ALDH1A1 (0.55) ALDH1A1HRH4MAPTKDM4EMEN1
SCHEMBL30775025 0.79 ALDH1A1 (0.55) ALDH1A1HRH4MAPTKDM4EMEN1
SCHEMBL2616096 0.75 HRH4 (0.55) ALDH1A1HRH4MAPTKDM4EMEN1
SCHEMBL31503559 0.73 SMN1; SMN2 (0.67) ALDH1A1MAPTMEN1KMT2AADORA3
SCHEMBL28534153 0.73 SMN1; SMN2 (0.67) ALDH1A1MAPTMEN1KMT2AADORA3
SCHEMBL30731286 0.72 SMN1; SMN2 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A

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-107739343-B Environment-friendly process for producing quizalofop-p-ethyl 京博农化科技股份有限公司 2020-06-19 CN claimed
CN-107739343-B Environment-friendly process for producing quizalofop-p-ethyl 京博农化科技股份有限公司 2020-06-19 CN disclosed