SCHEMBL24477693

SCHEMBL24477693

CS(=O)(=O)[C@H]1CC[C@H](NS(=O)(=O)[C@H]2CC[C@@H](C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.30

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
SCHEMBL8055346 0.92 CA12 (0.44) CA12CA7CA14JAK2JAK1
SCHEMBL10280119 0.81 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL12385865 0.81 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL24773688 0.81 CA12 (0.55) CA12CA7CA14JAK2JAK1
SCHEMBL15552592 0.81 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL13580619 0.80 CA12 (0.36) CA12CA7CA14JAK2JAK1
SCHEMBL15996338 0.75 CA12 (0.44) CA12CA7CA14JAK2JAK1
SCHEMBL17778087 0.75 CA12 (0.44) CA12CA7CA14JAK2JAK1
SCHEMBL8263013 0.74 CA12 (0.48) CA12CA7CA14JAK1CA9
SCHEMBL15214569 0.74 CA12 (0.48) CA12CA7CA14JAK1CA9

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
WO-2022111621-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-02 WO disclosed