Topotecan

Topotecan

SCHEMBL418714

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

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 SCHEMBL7056079 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed
US-20230034473-A1 METHODS OF TREATING FIBROBLAST GROWTH FACTOR 19-MEDIATED CANCERS AND TUMORS NGM BIOPHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11370841-B2 Methods of treating fibroblast growth factor 19-mediated cancers and tumors NGM BIOPHARMACEUTICALS, INC. (US) 2022-06-28 US disclosed
EP-3621633-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2020-03-18 EP disclosed
EP-3503882-A1 METHODS OF TREATING FIBROBLAST GROWTH FACTOR 19-MEDIATED CANCERS AND TUMORS NGM Biopharmaceuticals, Inc. (US) 2019-07-03 EP disclosed
US-20190194337-A1 METHODS OF TREATING FIBROBLAST GROWTH FACTOR 19-MEDIATED CANCERS AND TUMORS NGM BIOPHARMACEUTICALS, INC. 2019-06-27 US disclosed
WO-2018208954-A2 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2018-11-15 WO disclosed
EP-3344275-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2018-07-11 EP disclosed
WO-2018039557-A1 METHODS OF TREATING FIBROBLAST GROWTH FACTOR 19-MEDIATED CANCERS AND TUMORS NGM BIOPHARMACEUTICALS, INC. (US) 2018-03-01 WO disclosed
WO-2017040990-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed
US-20120021036-A1 COMPOSITE NANOSTRUCTURES AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-26 US disclosed