SCHEMBL28724729

SCHEMBL28724729

CCS(=O)(=O)Oc1cc(F)c(C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
SLC22A12 Q96S37 10/20 0.40
ALPI P09923 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
EPAS1 Q99814 2/20 0.32

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
SCHEMBL11963120 0.73 TRPV4 (0.50) TRPV4SLC22A12CYP11B1CYP11B2
SCHEMBL28724728 0.70 TRPV4 (0.40) TRPV4SLC22A12CYP11B1CYP11B2
SCHEMBL13766377 0.70 TRPV4 (0.50) TRPV4CYP11B1CYP11B2
SCHEMBL6651303 0.70 TRPV4 (0.71) TRPV4CYP11B1CYP11B2
SCHEMBL4137310 0.69 KDM4E (0.44) ALPIEPAS1
SCHEMBL30266491 0.67 TRPV4 (0.47) TRPV4CYP11B1CYP11B2
SCHEMBL10537256 0.67 TRPV4 (0.47) TRPV4CYP11B1CYP11B2
SCHEMBL15763950 0.67 CA12 (0.31)
SCHEMBL26657097 0.67 TRPV4 (0.47) TRPV4SLC22A12CYP11B1CYP11B2
SCHEMBL8895733 0.67 CYP11B1 (0.46) TRPV4CYP11B1CYP11B2

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-114364672-A Benzisoxazole sulfonamide derivatives 辉瑞大药厂 2022-04-15 CN disclosed