SCHEMBL9829655

SCHEMBL9829655

COC(=O)c1ccccc1S(=O)(=O)NCC#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
CA12 O43570 5/20 0.52
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SLC40A1 Q9NP59 1/20 0.46
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14086598 0.81 CA1 (0.58) CA9CA1CA2CA5ANPC1
SCHEMBL975460 0.79 CA9 (0.73) CA9CA1CA2CA5ACA12
SCHEMBL3256951 0.78 CA1 (0.67) CA9CA1CA2CA5ANPC1
SCHEMBL21268180 0.78 CA1 (0.67) CA9CA1CA2CA5ANPC1
SCHEMBL6535568 0.77 CA1 (0.66) CA9CA1CA2CA5ANPC1
SCHEMBL5691027 0.76 CA1 (0.65) CA9CA1CA2CA5ANPC1
SCHEMBL9683306 0.76 CA1 (0.70) CA9CA1CA2CA5ANPC1
SCHEMBL9829113 0.76 CA1 (0.52) CA9CA1CA2CA5ANPC1
SCHEMBL6038746 0.76 CA1 (0.69) CA9CA1CA2CA5ANPC1
SCHEMBL11661242 0.76 CA1 (0.73) CA9CA1CA2CA5ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200408-B1 INHIBITORS OF 5-LIPOXYGENASE Pfizer Corporation (PA) 1991-11-13 EP disclosed
US-4694080-A LIPOXYGENASE INHIBITORS, BRONCHODILATOR, AND ANTIALLERGENS PFIZER INC. (US) 1987-09-15 US disclosed
EP-0200408-A1 Inhibitors of 5-lipoxygenase Pfizer Corporation (PA) 1986-11-05 EP disclosed