SCHEMBL8868372

SCHEMBL8868372

CC(C)OC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CC3CCCCC3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
BLM P54132 2/20 0.47
HTR1A P08908 1/20 0.47
NFKB1 P19838 1/20 0.47
CNR1 P21554 1/20 0.47
ADRA1A P35348 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.41
P4HTM Q9NXG6 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
PPARG P37231 2/20 0.38
ABCC8 Q09428 2/20 0.38

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
SCHEMBL8869748 0.92 LMNA (0.49) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8869180 0.89 TSHR (0.50) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8868365 0.89 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8868281 0.88 LMNA (0.49) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL9018101 0.87 EPHX2 (0.43) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8869510 0.87 LMNA (0.52) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8869609 0.87 EPHX2 (0.48) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8868870 0.86 LMNA (0.49) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL8868205 0.86 ALDH1A1 (0.45) CYP3A4CYP2C9CYP2C19LMNAMAPT
SCHEMBL9140099 0.86 LMNA (0.50) CYP3A4CYP2C9CYP2C19LMNAMAPT

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