SCHEMBL6518952

SCHEMBL6518952

Cc1cc([N+](=O)[O-])c(S(=O)(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.53
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
VCAM1 P19320 4/20 0.38
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL3646610 0.91 GPR35 (0.48) GPR35TSHRCYP3A4KDM4EGRIN2D
SCHEMBL11683811 0.83 GPR35 (0.57) GPR35TSHRCYP3A4KDM4EGRIN2D
SCHEMBL4443083 0.82 GPR35 (0.48) GPR35TSHRCYP3A4KDM4EALDH1A1
SCHEMBL6535736 0.80 GPR35 (0.59) GPR35TSHRCYP3A4KDM4EGRIN2D
Hydrochloric Acid SCHEMBL27560354 0.78 GPR35 (0.57) GPR35TSHRCYP3A4KDM4EGRIN2D
SCHEMBL3814710 0.78 KIF18A (0.39) TSHRALDH1A1TDP1MAPTCYP1A2
SCHEMBL137704 0.76 TSHR (0.58) GPR35TSHRCYP3A4TDP1VCAM1
SCHEMBL28522129 0.76 GPR35 (0.48) GPR35TSHRCYP3A4KDM4EGRIN2D
SCHEMBL27820860 0.75 GPR35 (0.49) GPR35TSHRCYP3A4KDM4EGRIN2D
SCHEMBL28776957 0.75 TDP1 (0.52) GPR35TSHRALDH1A1L3MBTL1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed