SCHEMBL29942838

SCHEMBL29942838

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

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.88
▸ MEN1 O00255 5/20 0.88
▸ KMT2A Q03164 5/20 0.88
▸ SMN1; SMN2 Q16637 5/20 0.88
▸ KDM4E B2RXH2 4/20 0.88
▸ CASP1 P29466 3/20 0.88
▸ CASP7 P55210 3/20 0.88
▸ HBB P68871 3/20 0.88
▸ MAPT P10636 3/20 0.88
▸ USP2 O75604 2/20 0.88
▸ LMNA P02545 2/20 0.88
▸ BRCA1 P38398 2/20 0.88
▸ KEAP1 Q14145 2/20 0.88
▸ NFE2L2 Q16236 2/20 0.88
▸ HIF1A Q16665 2/20 0.88
▸ CYP3A4 P08684 2/20 0.88
▸ SLC22A2 O15244 1/20 0.88
▸ TOP2A P11388 1/20 0.88
▸ TOP2B Q02880 1/20 0.88
▸ SLC47A2 Q86VL8 1/20 0.88

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 0.95 TOP1 (0.95) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL27625552 0.94 TOP1 (0.95) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29350221 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL5531617 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL30712226 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29726458 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL9971346 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3836 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL14577671 0.94 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3927536 0.94 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313991-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2024-02-07 — — EP disclosed
CN-117295747-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2023-12-26 — — CN disclosed
WO-2022204184-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2022-09-29 — — WO disclosed
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