Topotecan

Topotecan

SCHEMBL14577671

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)[11CH3])c(O)ccc3nc2-1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP1

The experimentally established mechanism targets of Topotecan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 known ✓ P11387 19/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ KDM4E B2RXH2 4/20 1.00
▸ CASP1 P29466 3/20 1.00
▸ CASP7 P55210 3/20 1.00
▸ HBB P68871 3/20 1.00
▸ MAPT P10636 3/20 1.00
▸ USP2 O75604 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ BRCA1 P38398 2/20 1.00
▸ KEAP1 Q14145 2/20 1.00
▸ NFE2L2 Q16236 2/20 1.00
▸ HIF1A Q16665 2/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ SLC22A2 O15244 1/20 1.00
▸ TOP2A P11388 1/20 1.00
▸ TOP2B Q02880 1/20 1.00
▸ SLC47A2 Q86VL8 1/20 1.00

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
Topotecan SCHEMBL3927536 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL30712226 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL9971346 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29350221 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29726458 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL31517322 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3836 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL5531617 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL10278 0.99 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL7247 0.99 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
US-7175830-B2 Imaging of drug accumulation as a guide to antitumor therapy THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2007-02-13 — — US disclosed
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