SCHEMBL9018404

SCHEMBL9018404

CCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)OC(C)C)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 3/20 0.40
P4HTM Q9NXG6 3/20 0.40
OPRK1 P41145 1/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL9018392 0.96 CA2 (0.48) EGLN1CYP2C9CYP2C19CA2LMNA
SCHEMBL9018436 0.92 CA2 (0.46) CYP2C9CA2ALDH1A1LMNAALB
SCHEMBL9018217 0.92 ALDH1A1 (0.46) EGLN1ALDH1A1TSHREGFRP4HTM
SCHEMBL9018148 0.92 CA2 (0.42) EGLN1CYP2C9CA2ALDH1A1LMNA
SCHEMBL9018422 0.91 CA2 (0.41) EGLN1CYP2C9CA2ALDH1A1LMNA
SCHEMBL9018479 0.90 EGFR (0.43) EGFRP4HTMOPRK1EPHX2
SCHEMBL9018325 0.90 SMN1; SMN2 (0.44) EGLN1CYP2C9CYP2C19LMNAP4HTM
SCHEMBL9018202 0.90 P4HTM (0.43) ALDH1A1EGFRP4HTMEPHX2KMT2A
SCHEMBL9018141 0.89 NPC1 (0.48) P4HTMOPRK1NPC1RAB9AEPHX2
SCHEMBL9018337 0.89 ALDH1A1 (0.45) CYP2C9CA2ALDH1A1LMNAALB

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