SCHEMBL6930623

SCHEMBL6930623

Cc1ccc(S(=O)(=O)[O-])cc1.OCC[n+]1cccc2ccccc21

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 11/20 0.46
ACHE P22303 11/20 0.46

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
SCHEMBL29752682 0.88 KDM4E (0.50) KDM4EMEN1KMT2ABCHEACHE
SCHEMBL11070778 0.86 KDM4E (0.58) KDM4EMEN1KMT2ABCHEACHE
1-Ethylquinolonium SCHEMBL11069884 0.85 KDM4E (0.50) KDM4EMEN1KMT2ABCHEACHE
SCHEMBL11071834 0.81 KDM4E (0.54) KDM4EMEN1KMT2ABCHEACHE
SCHEMBL146684 0.78 LMNA (0.38) KDM4EMEN1KMT2A
SCHEMBL4848699 0.77 LMNA (0.45) KDM4EMEN1KMT2AACHE
SCHEMBL7789448 0.76 BCHE (0.52) KDM4EMEN1KMT2ABCHEACHE
Water SCHEMBL7556226 0.76 LMNA (0.44) KDM4EMEN1KMT2AACHE
SCHEMBL4303539 0.75 SMN1; SMN2 (0.40) KDM4EMEN1KMT2ABCHEACHE
SCHEMBL9808014 0.74 GAA (0.43) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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