SCHEMBL9018073

SCHEMBL9018073

O=C(Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cn1)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
PPARG P37231 2/20 0.45
MAPT P10636 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 3/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
BLM P54132 2/20 0.45
CYP1A2 P05177 2/20 0.45
ABCC8 Q09428 2/20 0.45
MEN1 O00255 2/20 0.45
HTR2A P28223 2/20 0.45
KMT2A Q03164 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCB11 O95342 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9018393 0.93 CXCR1 (0.47) MAPTCYP2C19LMNACYP3A4CYP2C9
SCHEMBL9018210 0.92 SMN1; SMN2 (0.45) PPARGMAPTCYP2C19LMNACYP3A4
SCHEMBL9018062 0.91 SMN1; SMN2 (0.45) MAPTCYP2C19LMNACYP3A4CYP2C9
SCHEMBL9018159 0.90 KMT2A (0.49) PPARGMAPTCYP2C19CYP2D6LMNA
SCHEMBL9139085 0.88 MAPT (0.49) EGFRPPARGMAPTCYP2C19CYP2D6
SCHEMBL9018369 0.87 NLRP3 (0.62) PPARGMAPTCYP2C19CYP2D6LMNA
SCHEMBL9018227 0.87 MAPT (0.46) MAPTCYP2C19LMNACYP3A4CYP2C9
SCHEMBL9018058 0.87 ACACB (0.43) CYP2C19CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL9018483 0.86 GABRA5 (0.43) EGFRMAPTCYP2C19LMNACYP3A4
SCHEMBL9018508 0.86 HSP90AA1 (0.42) CYP2C19CYP2D6CYP3A4CYP2C9CYP1A2

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