SCHEMBL2823100

SCHEMBL2823100

O=C(O)Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.58
ALOX12 P18054 1/20 0.58
CPT2 P23786 1/20 0.58
CPT1A P50416 1/20 0.58
CPT1B Q92523 1/20 0.58
ALDH1A1 P00352 1/20 0.53
PGR P06401 1/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
PTBP1 P26599 1/20 0.50
EGFR P00533 4/20 0.49

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
SCHEMBL27180679 0.85 MEN1 (0.75) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30926769 0.85 MEN1 (0.75) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2823097 0.85 CPT2 (0.60) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL2828714 0.80 MEN1 (0.74) MEN1KMT2AMAPTLMNACPT2
SCHEMBL30926624 0.79 MEN1 (0.81) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL27180183 0.79 MEN1 (0.81) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL27179665 0.77 MAPT (0.70) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30927067 0.77 MAPT (0.70) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30926902 0.76 MEN1 (0.59) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL27180384 0.76 MEN1 (0.59) MEN1KMT2AMAPTLMNASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891001-B1 SULFONAMIDE DERIVATIVES USEFUL AS LIVER CARNITINE PALMITOYL TRANSFERASE (L-CPTl) INHIBITORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed