SCHEMBL23959823

SCHEMBL23959823

CCOC(=O)CCCn1cnc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNF P01375 17/20 0.48
LMNA P02545 1/20 0.40
TBXAS1 P24557 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL307578 0.82 RAB9A (0.52) LMNATBXAS1
SCHEMBL25095623 0.82 KDM4E (0.34) TNF
SCHEMBL29852373 0.82 TNF (0.47) TNFLMNATBXAS1CYP1A2
SCHEMBL23320277 0.79 TBXAS1 (0.42) TBXAS1CYP1A2
SCHEMBL14177830 0.77 CYP1A2 (0.48) TNFLMNACYP1A2
SCHEMBL2962862 0.76 LMNA (0.50) TNFLMNATBXAS1
SCHEMBL27772950 0.74 CPB2 (0.40) LMNATBXAS1CYP1A2
SCHEMBL11571898 0.73 CPB2 (0.47) TNFLMNACYP1A2
SCHEMBL8104641 0.73 FAAH (0.53) TNFTBXAS1
SCHEMBL29668401 0.73 TBXAS1 (0.43) LMNATBXAS1

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-2021213445-A1 SULTAM DERIVATIVES AND APPLICATION THEREOF 南京明德新药研发有限公司 (CN) 2021-10-28 WO disclosed