Sugi Predict

Sugi Predict / Compounds / SCHEMBL7147901

SCHEMBL7147901

SCHEMBL7147901

CCCCCCNCC1CCCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.O=C(NCc1ccc(S(=O)(=O)N2CCC(NCc3ccc(C(F)(F)F)cc3)C2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CCCC(NCc3ccc(C(F)(F)F)cc3)C2)s1)c1ccc(Cl)cc1.O=C(NCc1ccc(S(=O)(=O)N2CC[C@H](CNCc3ccc(C(F)(F)F)cc3)C2)s1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RORC P51449 1/20 0.35
▸ DDR1 Q08345 6/20 0.35
▸ SMYD3 Q9H7B4 2/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL4189474 0.96 MAPK9 (0.44) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL4198093 0.92 MAPK9 (0.47) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3480186 0.87 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2AL3MBTL1
SCHEMBL3480210 0.87 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2AL3MBTL1
SCHEMBL3479959 0.87 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2ATRPA1
SCHEMBL3479910 0.85 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3480484 0.85 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ASMYD3
SCHEMBL3479914 0.85 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2ARORC
SCHEMBL3480021 0.84 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AL3MBTL1
SCHEMBL3480019 0.84 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AL3MBTL1

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 4 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-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