SCHEMBL9018253

SCHEMBL9018253

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC3CCCCC3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
BLM P54132 2/20 0.44
HTR1A P08908 1/20 0.44
NFKB1 P19838 1/20 0.44
CNR1 P21554 1/20 0.44
ADRA1A P35348 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
ABCC8 Q09428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
ABCC3 O15438 1/20 0.40

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
SCHEMBL9018153 0.94 LMNA (0.42) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018372 0.93 LMNA (0.44) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018388 0.92 LMNA (0.41) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018046 0.92 EPHX2 (0.46) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018192 0.89 LMNA (0.40) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018030 0.89 LMNA (0.39) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9139834 0.88 LMNA (0.49) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018314 0.86 MAPT (0.49) LMNACYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9018243 0.86 ALDH1A1 (0.50) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL9138876 0.85 LMNA (0.47) 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-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed