SCHEMBL8385263

SCHEMBL8385263

Cc1oc2ccc3c4ccccc4ccc3c2[n+]1CCCS(=O)(=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MAPT P10636 5/20 0.37
▸ POLB P06746 3/20 0.37
▸ THRB P10828 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL7254059 0.94 KDM4E (0.53) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL7253897 0.75 ALDH1A1 (0.55) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL7250099 0.71 MAPT (0.56) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL8021802 0.70 KDM4E (0.41) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL7253428 0.70 MEN1 (0.63) KDM4EALDH1A1HPGDGAARXFP1
Perchlorate SCHEMBL7250930 0.69 KDM4E (0.41) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL7256433 0.67 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL1368364 0.67 KDM4E (0.53) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL21523376 0.67 ALDH1A1 (0.65) KDM4EALDH1A1HPGDGAARXFP1
SCHEMBL8942786 0.67 MAPT (0.59) KDM4EALDH1A1HPGDGAARXFP1

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-0648813-B1 Photographic recording material AGFA GEVAERT AG (DE) 1999-04-28 — — EP disclosed
EP-0648813-A1 Photographic recording material Agfa-Gevaert AG (DE) 1995-04-19 — — EP disclosed
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