SCHEMBL7874560

SCHEMBL7874560

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.44
EGFR P00533 2/20 0.43
P4HTM Q9NXG6 3/20 0.43
CCR9 P51686 1/20 0.42
PPARD Q03181 2/20 0.42
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL7869468 0.90 EPHX2 (0.44) EGFRP4HTMEPHX2L3MBTL1
SCHEMBL7870559 0.88 EGFR (0.41) EGFRP4HTMEPHX2
SCHEMBL7874499 0.87 P4HTM (0.58) EGFRP4HTMHDAC3HDAC4HDAC1
SCHEMBL8867851 0.86 P4HTM (0.53) SCN3AEGFRP4HTMCCR9PPARD
SCHEMBL7869455 0.85 P4HTM (0.57) EGFRP4HTM
SCHEMBL7871651 0.85 BCL2L1 (0.46) EGFRP4HTMHDAC3HDAC4HDAC1
SCHEMBL7870344 0.84 EPHX2 (0.43) EGFRP4HTMEPHX2L3MBTL1
SCHEMBL7870464 0.83 BCL2L1 (0.45) MMP2MMP9MMP14L3MBTL1MMP8
SCHEMBL7871681 0.83 EGFR (0.46) EGFRP4HTMEPHX2
SCHEMBL7871631 0.83 P4HTM (0.52) SCN3AEGFRP4HTMCCR9HDAC3

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-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed