Topotecan

Topotecan

SCHEMBL7056079

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

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 0.98
SLC22A2 O15244 1/20 0.98
TOP2A P11388 1/20 0.98
TOP2B Q02880 1/20 0.98
SLC47A2 Q86VL8 1/20 0.98

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 SCHEMBL27326849 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29375999 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29742318 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL27585549 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL10588295 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL7247 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL10278 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL7248 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL418714 1.00 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL2107916 0.99 TOP1 (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854818-A2 CHEMICAL SUPPRESSORS OF NEUROTOXICITY IN SYNUCLEINOPATHIC DISEASES Oxalys Pharmaceuticals (CA) 2015-04-08 EP disclosed
WO-2013179144-A2 CHEMICAL SUPPRESSORS OF NEUROTOXICITY IN SYNUCLEINOPATHIC DISEASES OXALYS PHARMACEUTICALS (CA) 2013-12-05 WO disclosed
WO-2003033675-A2 IDENTIFICATION OF BINDING PARTNERS FOR SPECIFIC PROTEINS DGI BIO TECHNOLOGIES, INC. (US) 2003-04-24 WO disclosed