Sugi Predict

Sugi Predict / Compounds / SCHEMBL4438402

SCHEMBL4438402

SCHEMBL4438402

Cc1cn(C2OC3(COCc4ccccc4)CCCC2C3OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.41
▸ HPGD P15428 1/20 0.38
▸ TK2 O00142 1/20 0.36
▸ NT5M Q9NPB1 1/20 0.35

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
SCHEMBL3272988 1.00 TK1 (0.41) TK1HPGDTK2NT5M
SCHEMBL3271976 0.95 TK1 (0.42) TK1HPGD
SCHEMBL4554920 0.95 TK1 (0.42) TK1HPGD
SCHEMBL20394019 0.86 TK1 (0.41) TK1HPGDTK2NT5M
SCHEMBL13383034 0.85 TK1 (0.40) TK1HPGDTK2NT5M
SCHEMBL23264572 0.84 TK1 (0.41) TK1HPGDTK2NT5M
SCHEMBL20394066 0.84 TK1 (0.43) TK1HPGDTK2NT5M
SCHEMBL26738687 0.84 TK1 (0.41) TK1HPGDTK2NT5M
SCHEMBL23264576 0.84 TK1 (0.41) TK1HPGDTK2NT5M
SCHEMBL16648604 0.84 TK1 (0.41) TK1HPGDTK2NT5M

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-2134736-A1 FIVE- AND SIX-MEMBERED CONFORMATIONALLY LOCKED 2',4'- CARBOCYCLIC RIBO-THYMIDINES FOR THE TREATMENT OF INFECTIONS AND CANCER Chattopadhyaya, Jyoti (SE) 2009-12-23 — — EP disclosed
WO-2008111908-A1 FIVE- AND SIX-MEMBERED CONFORMATIONALLY LOCKED 2',4'- CARBOCYCLIC RIBO-THYMIDINES FOR THE TREATMENT OF INFECTIONS AND CANCER CHATTOPADHYAYA JYOTI (SE) 2008-09-18 — — WO disclosed