SCHEMBL9018079

SCHEMBL9018079

O=C(CCc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC3CCCC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P4HTM Q9NXG6 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CNR1 P21554 1/20 0.40
ADRA1A P35348 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
SCHEMBL9018390 0.93 CA1 (0.44) ALDH1A1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL9018062 0.92 SMN1; SMN2 (0.45) ALDH1A1MEN1RAB9AKMT2ACYP3A4
SCHEMBL9018210 0.91 SMN1; SMN2 (0.45) ALDH1A1MEN1RAB9AKMT2ACYP3A4
SCHEMBL9018166 0.90 POLB (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL9018388 0.90 LMNA (0.41) ALDH1A1MEN1RAB9AKMT2ACYP3A4
SCHEMBL9018267 0.89 HSD17B10 (0.45) ALDH1A1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL9141861 0.89 P4HTM (0.47) ALDH1A1MEN1RAB9AKMT2ACYP3A4
SCHEMBL9018019 0.88 LMNA (0.42) ALDH1A1MEN1RAB9AKMT2ACYP3A4
SCHEMBL9018077 0.87 BCL2L1 (0.46) ALDH1A1MEN1RAB9AKMT2AP4HTM
SCHEMBL9018384 0.86 LMNA (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2C9

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