O-Xylene

O-Xylene

SCHEMBL8919296

CN1CC(C)(C)c2ccccc21.Cc1ccccc1C

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
CNR2 P34972 1/20 0.40
SLC18A3 Q16572 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
TSHR P16473 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29450354 0.92 NOTUM (0.55) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
SCHEMBL538625 0.92 NOTUM (0.55) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
Iodide SCHEMBL28271700 0.90 NOTUM (0.53) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
Bromobenzene SCHEMBL27896182 0.82 NOTUM (0.46) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
Perchlorate SCHEMBL30037037 0.82 NOTUM (0.50) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
SCHEMBL18054866 0.78 NOTUM (0.49) NOTUMCNR2SLC6A2SLC6A4MAPT
SCHEMBL29715746 0.78 NOTUM (0.41) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
SCHEMBL29715681 0.78 NOTUM (0.45) NOTUMCNR2SLC18A3SIGMAR1SLC6A2
SCHEMBL9550828 0.77 NOTUM (0.45) NOTUMCNR2SLC18A3SIGMAR1TSHR
SCHEMBL17771729 0.77 RECQL (0.37) NOTUMKDM4EMAPTGAARECQL

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
EP-0783483-A1 METHOD FOR PREPARING PHOTOCHROMIC COMPOUNDS OF THE SPIRO INDOLIN- 2,3']-BENZOXAZINE] RINGED TYPE ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1997-07-16 EP disclosed
WO-1996003368-A1 METHOD FOR PREPARING PHOTOCHROMIC COMPOUNDS OF THE SPIRO[INDOLIN-[2,3']-BENZOXAZINE] RINGED TYPE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 1996-02-08 WO disclosed