SCHEMBL5566530

SCHEMBL5566530

CCC(C)(NC(=O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.46
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 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
SCHEMBL5564833 0.81 ALDH1A1 (0.44) F10MAPTALDH1A1POLBL3MBTL1
SCHEMBL3479895 0.80 MAPK9 (0.53) F10MAPTALDH1A1TDP1POLB
SCHEMBL5566527 0.72 F10 (0.50) F10MAPTALDH1A1TDP1L3MBTL1
SCHEMBL7894669 0.72 MAPK9 (0.59) F10MAPTALDH1A1POLBL3MBTL1
SCHEMBL7894689 0.70 MAPK9 (0.55) F10MAPTALDH1A1POLBL3MBTL1
SCHEMBL7894704 0.70 MAPK9 (0.55) F10MAPTALDH1A1TDP1POLB
SCHEMBL2420177 0.69 MAPK9 (0.60) MAPTALDH1A1TDP1POLBL3MBTL1
SCHEMBL2425275 0.69 MAPK9 (0.53) F10MAPTALDH1A1POLBL3MBTL1
SCHEMBL7435815 0.66 MAPK9 (0.55) F10MAPTALDH1A1L3MBTL1MEN1
SCHEMBL2422619 0.66 MAPK9 (0.52) MAPTALDH1A1TDP1FLT1FLT4

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-1850846-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN Laboratoires Serono SA (CH) 2007-11-07 — — EP disclosed
WO-2005097116-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 — — WO disclosed
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