SCHEMBL8701092

SCHEMBL8701092

O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 9/20 1.00
CA12 O43570 7/20 1.00
CA9 Q16790 5/20 1.00
CA1 P00915 3/20 1.00
HSP90AA1 P07900 4/20 0.76
KMT2A Q03164 2/20 0.75
PAX8 Q06710 3/20 0.71
KDM4E B2RXH2 1/20 0.69
GAA P10253 1/20 0.69
CA2 P00918 2/20 0.63
XBP1 P17861 1/20 0.60

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
SCHEMBL11142139 0.89 RAB9A (1.00) RAB9ANPC1CA12CA9CA1
SCHEMBL9168762 0.88 RAB9A (0.86) RAB9ANPC1CA12CA9CA1
SCHEMBL9164213 0.86 RAB9A (0.80) RAB9ANPC1CA12CA9CA1
SCHEMBL11144818 0.86 RAB9A (0.84) RAB9ANPC1CA12CA9CA1
SCHEMBL9251443 0.86 RAB9A (0.80) RAB9ANPC1CA12CA9CA1
SCHEMBL9983466 0.82 RAB9A (0.73) RAB9ANPC1CA12CA9CA1
SCHEMBL9014634 0.81 RAB9A (0.76) RAB9ANPC1CA12CA9CA1
SCHEMBL9769427 0.78 CA12 (1.00) RAB9ANPC1CA12CA9CA1
SCHEMBL10908945 0.77 CA12 (1.00) RAB9ANPC1CA12CA9CA1
SCHEMBL25989104 0.75 RAB9A (0.62) RAB9ANPC1CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed