SCHEMBL13896461

SCHEMBL13896461

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(CO)ccc3nc2-1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.83
▸ MEN1 O00255 4/20 0.83
▸ KMT2A Q03164 4/20 0.83
▸ SMN1; SMN2 Q16637 4/20 0.83
▸ KDM4E B2RXH2 3/20 0.83
▸ MAPT P10636 3/20 0.83
▸ CASP1 P29466 3/20 0.83
▸ CASP7 P55210 3/20 0.83
▸ HBB P68871 3/20 0.83
▸ USP2 O75604 2/20 0.83
▸ LMNA P02545 2/20 0.83
▸ BRCA1 P38398 2/20 0.83
▸ KEAP1 Q14145 2/20 0.83
▸ NFE2L2 Q16236 2/20 0.83
▸ HIF1A Q16665 2/20 0.83
▸ CYP3A4 P08684 2/20 0.83
▸ SLC22A2 O15244 1/20 0.83
▸ TOP2A P11388 1/20 0.83
▸ TOP2B Q02880 1/20 0.83
▸ SLC47A2 Q86VL8 1/20 0.83

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
SCHEMBL26843312 0.95 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3836 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL31517322 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29726458 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24684665 0.91 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24684654 0.91 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL5531617 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3927536 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL14577671 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL9971346 0.91 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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-1791539-B2 PROCESS TO PREPARE CAMPTOTHECIN DERIVATIVES CHATHAM BIOTEC LTD (CA) 2012-11-21 — — EP disclosed
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