P-Xylene

P-Xylene

SCHEMBL28085495

Cc1ccc(C)cc1.NNC(=O)N=S(=O)=O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 7/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KIF11 P52732 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 SCHEMBL28044613 0.90 LMNA (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6295418 0.82
Naphthalene SCHEMBL28299668 0.79 GAA (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL27562010 0.78 TDP1 (0.55) KDM4ETDP1KIF11SMN1; SMN2MAPT
Phenol SCHEMBL27937377 0.76 TDP1 (0.42) KDM4EALDH1A1CYP3A4GAALMNA
SCHEMBL28184733 0.75 PTGS2 (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
P-Xylene SCHEMBL28085499 0.72 CYP1A2 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
P-Xylene SCHEMBL27992588 0.70 TDP1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2944441 0.70 ALDH1A1 (0.52) ALDH1A1GAALMNACES2CES1
SCHEMBL9815511 0.69 ACHE (0.52) ALDH1A1CYP1A2CYP3A4LMNACES2

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-105968265-A Processing agent, polymer preparation containing processing agent, preparing method for processing agent and preparing method for polymer preparation containing processing agent 罗姆及哈斯公司 2016-09-28 CN disclosed
CN-104011082-B Processing aids and polymer formulations containing the same and methods for making the same 罗姆及哈斯公司 2016-07-13 CN disclosed