SCHEMBL19650262

SCHEMBL19650262

COC(=O)[C@@H]1CC(OS(=O)(=O)c2ccc(Br)cc2)CN1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ NAAA Q02083 1/20 0.33

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
SCHEMBL8141788 1.00 CA1 (0.36) CA1CA2CA4CA7F2
SCHEMBL14817044 1.00 CA1 (0.36) CA1CA2CA4CA7F2
Hydrochloric Acid SCHEMBL3370361 0.99 CA1 (0.36) CA1CA2CA4CA7F2
SCHEMBL30496307 0.89 CYP2D6 (0.45) CYP2D6CHEK2PIM1
SCHEMBL30607155 0.89 CYP2D6 (0.45) CYP2D6CHEK2PIM1
SCHEMBL12834785 0.89 CYP2D6 (0.45) CYP2D6CHEK2PIM1
SCHEMBL12860070 0.89 CYP2D6 (0.45) CYP2D6CHEK2PIM1
Hydrochloric Acid SCHEMBL2744323 0.85 GRIK1 (0.35) CYP2D6
SCHEMBL6769372 0.79 P2RX3 (0.46) PIM1
SCHEMBL6769375 0.79 P2RX3 (0.46) PIM1

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
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 — — EP disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
Send feedback