SCHEMBL28188992

SCHEMBL28188992

C[S+]([O-])c1nnnn1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 19/20 0.50

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
SCHEMBL28188978 0.88 KCNN4 (0.39) KCNN4
SCHEMBL28452138 0.87 KCNN4 (0.41) KCNN4
SCHEMBL28458370 0.85 P2RX7 (0.42) KCNN4
SCHEMBL28188353 0.83 ALDH1A1 (0.55) KCNN4
SCHEMBL28461418 0.82 TP53 (0.36) KCNN4
SCHEMBL28455981 0.82 NPC1 (0.44) KCNN4
SCHEMBL28449465 0.81 ALDH1A1 (0.46) KCNN4
SCHEMBL28188341 0.81 KCNN4 (0.40) KCNN4
SCHEMBL28188348 0.81 KCNN4 (0.41) KCNN4
SCHEMBL28189074 0.81 KCNN4 (0.44) KCNN4

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-107501198-B Sulfoxide tetrazole derivative and preparation method and application thereof 南京农业大学 2020-08-18 CN claimed
CN-107501198-B Sulfoxide tetrazole derivative and preparation method and application thereof 南京农业大学 2020-08-18 CN disclosed
CN-107501198-A Sulfoxide tetranitroazole derivative and preparation method and application 南京农业大学 2017-12-22 CN disclosed