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Sugi Predict / Compounds / SCHEMBL9025544

SCHEMBL9025544

SCHEMBL9025544

CC1=CN(Cc2ccc(-c3csc(SC4=C(C(=O)[O-])N5C(=O)[C@@H](C(C)O)[C@@H]5[C@H]4C)n3)cc2)[C+]=N1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC2 Q92887 1/20 0.34
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL9026533 0.78 KCNH2 (0.36) ABCC2KCNH2
SCHEMBL9026530 0.78 KCNH2 (0.36) ABCC2KCNH2
SCHEMBL9025538 0.77 CACNA1C (0.36) ABCC2
SCHEMBL9026019 0.77 ESR1 (0.40) ABCC2
SCHEMBL9026012 0.77 ESR1 (0.40) ABCC2
SCHEMBL9026549 0.77 ABCC2 (0.39) ABCC2KCNH2
SCHEMBL9026561 0.77 ABCC2 (0.39) ABCC2KCNH2
SCHEMBL9025659 0.76 ESR1 (0.43) ABCC2
SCHEMBL9025666 0.76 ESR1 (0.43) ABCC2
SCHEMBL9026328 0.75 CACNA1C (0.40) ABCC2

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
EP-0704446-A1 NOVEL BETA-LACTAM COMPOUND AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-03 — — EP disclosed