SCHEMBL31471001

SCHEMBL31471001

NS(=O)(=O)c1ccccc1CF

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.50
CA1 P00915 11/20 0.50
CA9 Q16790 8/20 0.50
CA12 O43570 5/20 0.50
CA6 P23280 4/20 0.50
CA5A P35218 4/20 0.50
CA4 P22748 3/20 0.50
CA7 P43166 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP2C9 P11712 1/20 0.50
PTGES2 Q9H7Z7 3/20 0.44
LDHA P00338 1/20 0.39
CDK2 P24941 1/20 0.39
CA3 P07451 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
PLCG1 P19174 1/20 0.38

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
SCHEMBL3651546 1.00 CA2 (0.50) CA2CA1CA9CA12CA6
Hydrochloric Acid SCHEMBL5794382 0.98 CA2 (0.48) CA2CA1CA9CA12CA6
SCHEMBL8349565 0.82 CA2 (0.54) CA2CA1CA9CA12CA6
SCHEMBL720533 0.82 GAA (0.44) PLCG1
SCHEMBL301742 0.80 CA2 (0.52) CA2CA1CA9CA12CA6
SCHEMBL1146430 0.80 CA2 (0.52) CA2CA1CA9CA12CA6
SCHEMBL1804257 0.80 CA2 (0.52) CA2CA1CA9CA12CA6
SCHEMBL30096522 0.80 CA2 (0.52) CA2CA1CA9CA12CA6
SCHEMBL30469499 0.80 CA2 (0.52) CA2CA1CA9CA12CA6
SCHEMBL12668238 0.78 CA2 (0.50) CA2CA1CA9CA12CA6

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
CN-113490668-B Compounds and compositions for the treatment of diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2025-02-25 CN disclosed