SCHEMBL8868286

SCHEMBL8868286

COCCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.55
SCN9A Q15858 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 2/20 0.43
EPHX2 P34913 4/20 0.43
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 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
SCHEMBL8868176 0.93 P4HTM (0.53) P4HTMSCN9ASCN10AALDH1A1HPGD
SCHEMBL8869196 0.91 P4HTM (0.53) P4HTMSCN9AALDH1A1HPGDCYP1A2
SCHEMBL8869132 0.89 P4HTM (0.51) P4HTMSCN9AALDH1A1HPGDCYP1A2
SCHEMBL8870003 0.89 P4HTM (0.56) P4HTMALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL8869962 0.87 P4HTM (0.58) P4HTMALDH1A1HPGDMEN1KMT2A
SCHEMBL7870444 0.86 P4HTM (0.46) P4HTMSCN9ASCN10AALDH1A1HPGD
SCHEMBL8867785 0.86 ALKBH2 (0.52) P4HTMSCN9ASCN10AALDH1A1HPGD
SCHEMBL8867662 0.85 SCN9A (0.48) SCN9ASCN10AALDH1A1HPGDCYP1A2
SCHEMBL8870069 0.84 P4HTM (0.57) P4HTMSCN9ASCN10ACYP1A2CYP2C9
SCHEMBL8868915 0.84 P4HTM (0.66) P4HTMALDH1A1HPGDEGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed