SCHEMBL6168047

SCHEMBL6168047

O=C(c1cccs1)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 2/20 0.44
CCR2 P41597 1/20 0.44
BCL2 P10415 1/20 0.42
BID P55957 1/20 0.42
MCL1 Q07820 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42

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
SCHEMBL6171376 0.84 HDAC3 (0.54) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6170232 0.81 FLT1 (0.50) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6172885 0.81 ALDH1A1 (0.49) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6172493 0.80 NOD2 (0.50) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6170479 0.80 HDAC3 (0.52) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6171127 0.79 HDAC3 (0.49) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6171807 0.79 MAPT (0.47) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL6170056 0.78 HDAC3 (0.50) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL27574940 0.76 HDAC3 (0.48) MAPTALDH1A1LMNANOD2NOD1
SCHEMBL427119 0.75 TUBB4A (0.53) MAPTALDH1A1LMNANOD2NOD1

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-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed