SCHEMBL30765738

SCHEMBL30765738

O=C(O)Cn1c(-c2ccc(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)cc2)ncc(NC(=O)c2cnc(-c3ccccc3)s2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.42
WNT3A P56704 2/20 0.38
CYP3A4 P08684 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
BCHE P06276 1/20 0.37
PTPN1 P18031 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ELANE P08246 8/20 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
SCHEMBL30765546 0.94 CASP1 (0.40) CASP1WNT3ACYP3A4HDAC3HDAC4
SCHEMBL30765555 0.93 CASP1 (0.42) CASP1WNT3ACYP3A4HDAC3HDAC4
SCHEMBL30765831 0.88 CASP1 (0.40) CASP1WNT3ACYP3A4HDAC3HDAC4
SCHEMBL30765813 0.85 ELANE (0.42) CASP1WNT3ACYP3A4BCHEELANE
SCHEMBL30765694 0.84 CASP1 (0.38) CASP1WNT3ACYP3A4HDAC3HDAC4
SCHEMBL30765765 0.83 CASP1 (0.43) CASP1WNT3AKCNH2ELANE
SCHEMBL30765687 0.83 BCHE (0.41) CASP1BCHEELANEPRKAG1PRKAA1
SCHEMBL30765956 0.78 CASP1 (0.41) CASP1WNT3AKCNH2ELANE
SCHEMBL30765857 0.76 BCHE (0.41) CASP1BCHEELANEPRKAG1PRKAA1
SCHEMBL30765978 0.75 ELANE (0.41) CASP1BCHEELANE

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-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed