SCHEMBL6829424

SCHEMBL6829424

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.80
▸ MEN1 O00255 5/20 0.80
▸ KMT2A Q03164 5/20 0.80
▸ SMN1; SMN2 Q16637 5/20 0.80
▸ KDM4E B2RXH2 4/20 0.80
▸ CASP1 P29466 3/20 0.80
▸ CASP7 P55210 3/20 0.80
▸ HBB P68871 3/20 0.80
▸ MAPT P10636 3/20 0.80
▸ USP2 O75604 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ BRCA1 P38398 2/20 0.80
▸ KEAP1 Q14145 2/20 0.80
▸ NFE2L2 Q16236 2/20 0.80
▸ HIF1A Q16665 2/20 0.80
▸ CYP3A4 P08684 2/20 0.80
▸ SLC22A2 O15244 1/20 0.80
▸ TOP2A P11388 1/20 0.80
▸ TOP2B Q02880 1/20 0.80
▸ SLC47A2 Q86VL8 1/20 0.80

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
SCHEMBL26843312 0.91 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27625556 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5324470 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13896461 0.89 TOP1 (0.83) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3927536 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL14577671 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29350221 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL3836 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL9971346 0.89 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
Topotecan SCHEMBL29726458 0.89 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-6740335-B1 LIPOSOME COMPRISING CHOLESTEROL, SELECTED PHOSPHATIDYLCHOLINE, AND 7-(4-METHYLPIPERAZINOMETHYLENE)-10,11-ETHYLENEDIOXY-20(S)-CAMP TOTHECIN OSI PHARMACEUTICALS, INC. 2004-05-25 — — US disclosed
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