O-Xylene

O-Xylene

SCHEMBL11046097

Cc1cccc(NC(N)=O)c1.Cc1ccccc1C

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
CYP1A2 P05177 1/20 0.59
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 1/20 0.54
KCNK3 O14649 3/20 0.52
KCNK9 Q9NPC2 3/20 0.52
KCNH2 Q12809 1/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL166848 0.93 HSD17B10 (0.69) HSD17B10CYP1A2KMT2AMEN1RXFP1
Benzene SCHEMBL15881255 0.91 HSD17B10 (0.67) HSD17B10CYP1A2KMT2AMEN1RXFP1
Hydrochloric Acid SCHEMBL8884354 0.91 HSD17B10 (0.67) HSD17B10CYP1A2KMT2AMEN1RXFP1
O-Xylene SCHEMBL11044886 0.83 MEN1 (0.59) HSD17B10KMT2AMEN1ALDH1A1HPGD
SCHEMBL13680547 0.83 CNR1 (0.61) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL27612156 0.82 MEN1 (0.79) CYP1A2KMT2AMEN1RXFP1KCNK3
Styrene SCHEMBL9246939 0.82 MAOB (0.58) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL3690365 0.79 MAPT (0.59) KMT2AMEN1ALDH1A1KCNK3KCNK9
SCHEMBL2969536 0.79 CYP3A4 (0.79) HSD17B10CYP1A2KMT2AMEN1RXFP1
SCHEMBL533767 0.78 KCNK3 (0.81) KMT2AMEN1RXFP1ALDH1A1KCNK3

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
US-RE31550-E N-(2-Chloro-4-pyridyl) ureas Shudo, Koichi (JP) 1984-04-10 US disclosed