SCHEMBL7869468

SCHEMBL7869468

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.44
EGFR P00533 2/20 0.43
P4HTM Q9NXG6 3/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2J2 P51589 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7870344 0.94 EPHX2 (0.43) EPHX2EGFRP4HTMCYP2C9CYP2C19
SCHEMBL7870559 0.93 EGFR (0.41) EPHX2EGFRP4HTMCYP2C9CYP2C19
SCHEMBL7870444 0.91 P4HTM (0.46) EPHX2EGFRP4HTMCYP2C9CYP2C19
SCHEMBL7874560 0.90 SCN3A (0.44) EPHX2EGFRP4HTML3MBTL1
SCHEMBL7874499 0.86 P4HTM (0.58) EGFRP4HTMCYP2C9CYP2C19CYP1A2
SCHEMBL8869196 0.86 P4HTM (0.53) EPHX2EGFRP4HTMCYP2C9CYP2C19
SCHEMBL7867676 0.86 EPHX2 (0.42) EPHX2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7871651 0.86 BCL2L1 (0.46) EGFRP4HTMMEN1KMT2ANPC1
SCHEMBL7870555 0.85 EGFR (0.43) EPHX2EGFRP4HTMCYP2C9CYP2C19
SCHEMBL7870464 0.84 BCL2L1 (0.45) L3MBTL1ALDH1A1RAB9A

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