Sugi Predict

Sugi Predict / Compounds / SCHEMBL5799174

SCHEMBL5799174

SCHEMBL5799174

COc1c(N2CC(C3(NCCC#N)CC3)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12.Cc1c(N2CC(C3(NCCC#N)CC3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.36
▸ SCN5A Q14524 1/20 0.32

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
SCHEMBL5798813 0.96 KCNH2 (0.41) KCNH2SCN5A
SCHEMBL5462227 0.91 KCNH2 (0.36) KCNH2
SCHEMBL5462271 0.90 JAK2 (0.36) KCNH2
SCHEMBL5464659 0.88 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL5453089 0.88 KCNH2 (0.42) KCNH2SCN5A
SCHEMBL5801499 0.86 KCNH2 (0.41) KCNH2
SCHEMBL5465810 0.86 KCNH2 (0.41) KCNH2SCN5A
SCHEMBL5458074 0.85 KCNH2 (0.38) KCNH2
SCHEMBL5460692 0.83 KCNH2 (0.49) KCNH2SCN5A
SCHEMBL5465287 0.82 KCNH2 (0.46) KCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 — — EP claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 — — WO claimed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 — — EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 — — WO disclosed