SCHEMBL26754756

SCHEMBL26754756

O=CNc1ccc([S+]([O-])N2CCC3(CCN(C4CN(C(=O)C(F)(F)F)C4)CC3)CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
EPHX2 P34913 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
SCHEMBL26754753 0.85 CTSB (0.30) CTSBCTSSCTSK
SCHEMBL7377249 0.64 MAPK1 (0.48)
SCHEMBL25830890 0.58 GFER (0.49)
SCHEMBL12882560 0.57 LMNA (0.47)
SCHEMBL26079589 0.57 EPHX2 (0.58) EPHX2
SCHEMBL25831010 0.57 SLC18A3 (0.47)
SCHEMBL24762709 0.56 ALDH1A1 (0.41)
SCHEMBL24124743 0.55 ALDH1A1 (0.38)
SCHEMBL22416091 0.54 ALDH1A1 (0.46)
SCHEMBL18701845 0.54 SPR (0.35) EPHX2

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-2023205892-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-11-02 WO disclosed