SCHEMBL22100482

SCHEMBL22100482

CO/C=C/c1ncc(-c2ccc(Cl)s2)n1S(=O)(=O)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
CCR4 P51679 1/20 0.31
CCR5 P51681 1/20 0.31
GRIN2B Q13224 2/20 0.30
GRIN1 Q05586 1/20 0.30
MEN1 O00255 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 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
SCHEMBL22075608 0.88 GRIN2B (0.33) CCR4GRIN2BGRIN1
SCHEMBL22075612 0.88 GRIN2B (0.33) CCR4GRIN2BGRIN1
SCHEMBL22075812 0.77 PTGS2 (0.36) CCR4CCR5GRIN2BGRIN1KMT2A
SCHEMBL22075669 0.74 GRIN2B (0.33) GRIN2BGRIN1
SCHEMBL22075692 0.70 PTGS2 (0.36) GRIN2BGRIN1
SCHEMBL25375611 0.60 SMN1; SMN2 (0.31)
SCHEMBL30552651 0.60 SMN1; SMN2 (0.31)
SCHEMBL10448855 0.58 TSHR (0.48) MEN1KMT2A
SCHEMBL30552772 0.57 SMN1; SMN2 (0.33)
SCHEMBL9193008 0.52 CYP2A6 (0.50) PDGFRBPDGFRAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894416-B1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS INC (US) 2022-11-09 EP disclosed
WO-2020123850-A1 FERROPORTIN INHIBITORS AND METHODS OF USE GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-06-18 WO disclosed