Topotecan

Topotecan

SCHEMBL27625552

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

nearest known ligand 0.95

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 0.95
▸ MEN1 O00255 5/20 0.95
▸ KMT2A Q03164 5/20 0.95
▸ SMN1; SMN2 Q16637 5/20 0.95
▸ KDM4E B2RXH2 4/20 0.95
▸ CASP1 P29466 3/20 0.95
▸ CASP7 P55210 3/20 0.95
▸ HBB P68871 3/20 0.95
▸ MAPT P10636 3/20 0.95
▸ USP2 O75604 2/20 0.95
▸ LMNA P02545 2/20 0.95
▸ BRCA1 P38398 2/20 0.95
▸ KEAP1 Q14145 2/20 0.95
▸ NFE2L2 Q16236 2/20 0.95
▸ HIF1A Q16665 2/20 0.95
▸ CYP3A4 P08684 2/20 0.94
▸ SLC22A2 O15244 1/20 0.94
▸ TOP2A P11388 1/20 0.94
▸ TOP2B Q02880 1/20 0.94
▸ SLC47A2 Q86VL8 1/20 0.94

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 SCHEMBL1231036 0.99 TOP1 (0.95) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29375999 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL7248 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL10588295 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29742318 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL418714 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL7247 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL10278 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL7056079 0.98 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL27326849 0.98 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100372854-C Process for the preparation of topotecan from 10-hydroxy-20- -camptothecin COUNCIL SCIENT IND RES (IN) 2008-03-05 — — CN claimed
CN-1764663-A Method for preparing topotecan from 10-hydroxy-4-(S)-camptothecine COUNCIL SCIENT IND RES (IN) 2006-04-26 — — CN claimed
CN-100372854-C Process for the preparation of topotecan from 10-hydroxy-20- -camptothecin COUNCIL SCIENT IND RES (IN) 2008-03-05 — — CN disclosed
CN-1764663-A Method for preparing topotecan from 10-hydroxy-4-(S)-camptothecine COUNCIL SCIENT IND RES (IN) 2006-04-26 — — CN disclosed
Send feedback