SCHEMBL30019081

SCHEMBL30019081

CCS(=O)(=O)c1cccc(N)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TTR P02766 1/20 0.39
NSD2 O96028 5/20 0.39
PSIP1 O75475 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HTR6 P50406 1/20 0.37
KYNU Q16719 2/20 0.37
KMT2A Q03164 2/20 0.35

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
SCHEMBL28880162 1.00 GAA (0.42) GAACA12CA1CA2CYP2C9
Carbamic Acid SCHEMBL28340527 0.92 KYNU (0.42) GAACA12CA1CA2CYP2C9
SCHEMBL20226656 0.82 GAA (0.39) GAACA12CA1CA2CA4
SCHEMBL776476 0.80 PTGES2 (0.44) PSIP1ALOX5APFEN1KMT2AHSD17B10
SCHEMBL30018950 0.80 GAA (0.45) GAACA12CA1CA2CYP2C9
SCHEMBL12325100 0.80 GAA (0.45) GAACA12CA1CA2CYP2C9
SCHEMBL1972988 0.79 GAA (0.60) GAACA12CA1CA2CYP2C9
Hydrochloric Acid SCHEMBL20399177 0.78 GAA (0.43) GAACA12CA1CA2CYP2C9
SCHEMBL23364695 0.78 CA2 (0.61) GAACA12CA1CA2CYP2C9
SCHEMBL11406615 0.77 GAA (0.42) GAACA12CA1CA2CYP2C9

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
CN-115925693-B JAK1 selective inhibitors 阿斯利康(瑞典)有限公司 2024-11-12 CN disclosed
CN-115925693-A Selective inhibitors of JAK1 阿斯利康(瑞典)有限公司 2023-04-07 CN disclosed
CN-110461830-B Selective inhibitors of JAK1 阿斯利康(瑞典)有限公司 2022-11-01 CN disclosed