SCHEMBL8868415

SCHEMBL8868415

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ AR P10275 2/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ CCR4 P51679 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL8869691 0.92 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL8869973 0.90 CYP1A2 (0.46) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL8870073 0.89 SMN1; SMN2 (0.42) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL8869173 0.89 POLB (0.42) SMN1; SMN2LMNAPKM
SCHEMBL8868341 0.84 CYP1A2 (0.45) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL8867662 0.82 SCN9A (0.48) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL8868644 0.81 HTT (0.53) HTTLMNAMAPT
SCHEMBL8869067 0.80 PGR (0.53) CYP3A4CYP2C9CYP2C19LMNACCR2
SCHEMBL8870156 0.80 P4HTM (0.51) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL8868611 0.79 EGLN1 (0.46) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2

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
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