SCHEMBL29062245

SCHEMBL29062245

Cc1ccc(S(=O)(=O)O)c([C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
EPHX2 P34913 3/20 0.42
KAT6A Q92794 1/20 0.41
KAT5 Q92993 1/20 0.41
DRD2 P14416 2/20 0.39
KMT2A Q03164 2/20 0.39
LIPG Q9Y5X9 1/20 0.38
MAPT P10636 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL28851424 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL6942857 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL29172685 0.91 KMT2A (0.41) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL28570368 0.89 JAK2 (0.43) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL30421230 0.89 JAK2 (0.43) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL28479502 0.86 JAK2 (0.41) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL28397690 0.84 EPHX2 (0.44) EPHX2KMT2AMAPTL3MBTL1
SCHEMBL6942861 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL9101971 0.81 PTGDR2 (0.39) EPHX2DRD2KMT2AMAPTL3MBTL1
SCHEMBL2217850 0.77 PTGDR2 (0.46) EPHX2KMT2AMAPT

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-116675731-A Small molecule conjugate of targeted cyclin-dependent kinase 12/13 and application thereof 浙江大学 2023-09-01 CN disclosed