SCHEMBL9734702

SCHEMBL9734702

O=S(=O)(F)CCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
KIF11 P52732 5/20 0.47
EPHX2 P34913 1/20 0.44
FFAR1 O14842 1/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
CA9 Q16790 2/20 0.41
RORC P51449 1/20 0.41
MMP1 P03956 1/20 0.41
CA4 P22748 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL10341647 0.79 RPS6KA2 (0.43) CA1CA2CA12CA7MEN1
SCHEMBL9780212 0.77 KIF11 (0.50) CA1CA2KIF11EPHX2CA12
SCHEMBL10341662 0.77 CA1 (0.44) CA1CA2CA12CA7MEN1
SCHEMBL9736374 0.77 MAPT (0.61) CA1CA2CA12MEN1KMT2A
SCHEMBL4418270 0.77 CA1 (0.44) CA1CA2KIF11FFAR1CA12
Hydrochloric Acid SCHEMBL9736836 0.77 RPS6KA2 (0.42) CA1CA2CA12CA7MEN1
SCHEMBL4411321 0.76 ALDH1A1 (0.54) CA1CA2CA12MEN1KMT2A
SCHEMBL18361651 0.75 CA2 (0.67) CA1CA2KIF11CA12CA7
Hydrochloric Acid SCHEMBL10341636 0.75 ALDH1A1 (0.52) CA1CA2CA12MEN1KMT2A
SCHEMBL10341650 0.74 KDR (0.53) CA1CA2CA7MEN1KMT2A

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-0358438-A2 Ethanesulfonamide derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-14 EP claimed
US-5112866-A Sulfonylfluorides as intermediates, also useful in treatment of bone disorders, antisecretory, antiulcer ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-12 US disclosed
EP-0358438-A2 Ethanesulfonamide derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-14 EP disclosed