SCHEMBL30765787

SCHEMBL30765787

COC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)c2ccc(Oc3ccccc3)s2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.44
ELANE P08246 12/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ITK Q08881 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30765803 0.92 CASP1 (0.47) CASP1ELANEITK
SCHEMBL30765492 0.76 ELANE (0.49) CASP1ELANEKDM4ESMN1; SMN2
SCHEMBL30765683 0.76 TUBB4A (0.47) CASP1ELANEKDM4ESMN1; SMN2
SCHEMBL30765459 0.75 TP53 (0.45) KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL30765976 0.74 CASP1 (0.47) CASP1ELANECYP2C9CYP2C19
SCHEMBL30765794 0.74 HDAC1 (0.46) CASP1ELANEKDM4EALDH1A1HSD17B10
SCHEMBL30765866 0.74 HDAC2 (0.51) CASP1ELANEKDM4EALDH1A1SMN1; SMN2
SCHEMBL30765989 0.72 KDM4E (0.51) ELANEKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6245424 0.72 ELANE (0.49) CASP1ELANEKDM4EALDH1A1SMN1; SMN2
SCHEMBL5728202 0.71 ELANE (0.54) CASP1ELANEKDM4EHSD17B10

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