SCHEMBL4968630

SCHEMBL4968630

O=C(NCc1ccc(S(=O)(=O)N2CCC(NCCc3ccc(C(F)(F)F)cc3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
TGM2 P21980 4/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
CCR2 P41597 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL3480150 0.93 MAPK9 (0.56) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL3480484 0.88 MAPK9 (0.53) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL4189441 0.87 MAPK9 (0.57) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL2421312 0.87 MAPK9 (0.57) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL3480105 0.87 MAPK9 (0.57) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL3480493 0.86 MAPK9 (0.56) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL3479909 0.85 MAPK9 (0.57) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL7146589 0.85 KMT2A (0.50) TGM2ALDH1A1MEN1KMT2APOLB
SCHEMBL3479908 0.85 MAPK9 (0.60) MAPK9MAPK10TGM2ALDH1A1MEN1
SCHEMBL3480147 0.84 MAPK9 (0.56) MAPK9MAPK10TGM2ALDH1A1MEN1

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-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP claimed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO claimed
EP-1904181-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2008-04-02 EP disclosed
WO-2007011762-A2 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETREOSIS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
EP-1322642-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES Applied Research Systems ARS Holding N.V. (AN) 2003-07-02 EP disclosed
WO-2002026733-A2 sHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES BEARING BOTH LIPOPHILIC AND IONISABLE MOIETIES AS INHIBITORS OF PROTEIN JUNKINASES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-04 WO disclosed