SCHEMBL5408423

SCHEMBL5408423

C=CCS(=O)(=O)c1ccc(-c2ncco2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
PNMT P11086 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRNA7 P36544 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
USP9X Q93008 6/20 0.36
HPGDS O60760 1/20 0.36
HDAC4 P56524 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL1951129 0.76 LTA4H (0.49) LTA4HKCNJ1KCNH2ALDH1A1CHRNA7
SCHEMBL18118210 0.74 CA2 (0.54) LTA4HCA12CA1CA2CA9
SCHEMBL8591966 0.74 LTA4H (0.47) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL5408419 0.74 ALDH1A1 (0.48) LTA4HALDH1A1KDM4EHPGDSEDNRB
SCHEMBL722557 0.73 LTA4H (0.64) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL7575704 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL28257875 0.71 LTA4H (0.62) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL28362996 0.71 LTA4H (0.62) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL28320605 0.71 LTA4H (0.62) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL27548591 0.71 MMP2 (0.55) PNMTALDH1A1CA12CA1CA2

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
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed