SCHEMBL2022729

SCHEMBL2022729

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(C=NO)cc1c2C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.71
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL27547969 0.91 TOP1 (0.73) TOP1MEN1KMT2A
SCHEMBL27731508 0.88 TOP1 (0.78) TOP1MEN1KMT2A
SCHEMBL27699980 0.87 TOP1 (0.77) TOP1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27699979 0.86 TOP1 (0.76) TOP1MEN1KMT2A
SCHEMBL4449734 0.86 TOP1 (0.77) TOP1MEN1KMT2A
SCHEMBL27731507 0.86 TOP1 (0.74) TOP1MEN1KMT2A
SCHEMBL27752128 0.85 TOP1 (0.74) TOP1MEN1KMT2A
SCHEMBL21450567 0.83 TOP1 (1.00) TOP1
SCHEMBL21450564 0.83 TOP1 (1.00) TOP1
SCHEMBL8198356 0.82 TOP1 (0.76) TOP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515898-A1 ANTICANCER COMBINATION OF ARTEMISININ-BASED DRUGS AND OTHER CHEMOTHERAPEUTIC AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-10-31 — — EP claimed
US-20120258181-A1 ANTICANCER COMBINATION OF ARTEMISININ-BASED DRUGS AND OTHER CHEMOTHERAPEUTIC AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-11 — — US claimed
WO-2011076547-A1 ANTICANCER COMBINATION OF ARTEMISININ-BASED DRUGS AND OTHER CHEMOTHERAPEUTIC AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-06-30 — — WO claimed
EP-2515898-A1 ANTICANCER COMBINATION OF ARTEMISININ-BASED DRUGS AND OTHER CHEMOTHERAPEUTIC AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-10-31 — — EP disclosed
WO-2011076547-A1 ANTICANCER COMBINATION OF ARTEMISININ-BASED DRUGS AND OTHER CHEMOTHERAPEUTIC AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-06-30 — — WO disclosed
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