SCHEMBL6515604

SCHEMBL6515604

CCCCCCCCCCCCCCCCCCNc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
POLB P06746 3/20 0.69
PKM P14618 2/20 0.69
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 1/20 0.61
HCAR3 P49019 3/20 0.60
WNK1 Q9H4A3 1/20 0.52
PRSS1 P07477 2/20 0.50
KAT2B Q92831 3/20 0.49
ALDH1A1 P00352 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48

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
SCHEMBL5455310 0.88 MAPT (0.70) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL12760575 0.82 MAPT (0.62) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL27543599 0.82 KAT2B (0.59) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL16151564 0.81 KAT2B (0.72) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL20968369 0.81 HCAR3 (0.66) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL10428098 0.81 HCAR3 (0.66) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL16152114 0.81 HCAR3 (0.66) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL5747369 0.80 PDK1 (0.49) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL29306545 0.80 HCAR3 (0.67) MAPTPOLBPKMSMN1; SMN2LMNA
SCHEMBL5749088 0.80 MAPT (0.45) MAPTPOLBPKMSMN1; SMN2LMNA

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 6 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
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 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
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed