SCHEMBL6009407

SCHEMBL6009407

O=[N+]([O-])c1ccc(CS(=O)(=O)NOC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP19A1 P11511 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
PTGES O14684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 2/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10494730 0.82 EPHX1 (0.53) EPHX1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2988155 0.81 MAPT (0.53) EPHX1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2994663 0.77 GAA (0.47) EPHX1ALDH1A1MAPTMEN1CYP1A2
SCHEMBL6424076 0.73 IDO1 (0.53) EPHX1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL21596169 0.72 LOXL2 (0.55) MAPTMEN1TSHRKMT2AGAA
SCHEMBL24168053 0.70 EPHX1 (0.51) EPHX1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL3001018 0.70 CA1 (0.58) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL3099025 0.70 POLB (0.69) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9097319 0.70 CYP19A1 (0.47) EPHX1ALDH1A1CYP19A1MAPTSMN1; SMN2
SCHEMBL18177867 0.70 POLB (0.69) EPHX1ALDH1A1MAPTMEN1KMT2A

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
US-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 US claimed
US-5939069-A INHIBITING THE DEVELOPMENT OF INSULIN DEPENDENT DIABETES BY ADMINISTERING INDOMETHACIN OR N-2-CYCLOHEXLYOXYNITROPHENYL METHANESULFONAMIDE UNIVERSITY OF FLORIDA (US) 1999-08-17 US disclosed