SCHEMBL7436716

SCHEMBL7436716

O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(S(=O)(=O)C(F)(F)F)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1.O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ LMNA P02545 6/20 0.40
▸ USP2 O75604 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GALK1 P51570 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 4/20 0.38
▸ BAP1 Q92560 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL4204314 0.89 MAPK9 (0.73) MAPK9MAPK10LMNAUSP2NPSR1
SCHEMBL2427738 0.88 MEN1 (0.45) MAPK9MAPK10LMNAMEN1KMT2A
SCHEMBL2426328 0.87 MAPT (0.46) MAPK9MAPK10LMNAGAAMEN1
SCHEMBL2419679 0.86 MAPK9 (0.72) MAPK9MAPK10LMNAUSP2NPSR1
SCHEMBL2422218 0.84 MAPK9 (0.80) MAPK9MAPK10LMNAUSP2NPSR1
SCHEMBL2427270 0.83 MEN1 (0.46) MAPK9MAPK10LMNAMEN1KMT2A
SCHEMBL2427809 0.81 KMT2A (0.50) MAPK9MAPK10GAAMEN1KMT2A
SCHEMBL7447676 0.80 MEN1 (0.43) MAPK9MAPK10LMNAGAAMEN1
SCHEMBL2420885 0.80 MEN1 (0.46) MAPK9MAPK10MEN1KMT2AMAPT
SCHEMBL2428331 0.80 KMT2A (0.51) MAPK9MAPK10LMNAMEN1KMT2A

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-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 — — EP claimed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 — — WO claimed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 — — EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 — — WO disclosed
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