SCHEMBL7868027

SCHEMBL7868027

CC(=O)OCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CC3CCCCC3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
BLM P54132 2/20 0.42
HTR1A P08908 1/20 0.42
NFKB1 P19838 1/20 0.42
CNR1 P21554 1/20 0.42
ADRA1A P35348 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ABCC8 Q09428 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36

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
SCHEMBL7867832 0.93 EPHX2 (0.43) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7870483 0.93 LMNA (0.41) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7870571 0.90 EPHX2 (0.45) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL8868532 0.89 LMNA (0.50) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7870460 0.89 MAPT (0.44) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018046 0.86 EPHX2 (0.46) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7862837 0.86 POLB (0.43) LMNACYP3A4SMN1; SMN2EPHX2MEN1
SCHEMBL9018170 0.86 LMNA (0.46) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7862714 0.86 ALDH1A1 (0.45) LMNAEPHX2MEN1KMT2AALDH1A1
SCHEMBL7867694 0.85 EPHX2 (0.43) LMNACYP3A4CYP2C9CYP2C19MAPT

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