SCHEMBL8484253

SCHEMBL8484253

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 20/20 0.73
▸ KDM4E B2RXH2 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ USP2 O75604 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ CASP1 P29466 2/20 0.66
▸ BRCA1 P38398 2/20 0.66
▸ CASP7 P55210 2/20 0.66
▸ HBB P68871 2/20 0.66
▸ KEAP1 Q14145 2/20 0.66
▸ NFE2L2 Q16236 2/20 0.66
▸ HIF1A Q16665 2/20 0.66
▸ RECQL P46063 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ SLC22A2 O15244 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ TOP2A P11388 1/20 0.66

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
SCHEMBL27461806 1.00 TOP1 (0.73) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL8480557 0.95 TOP1 (0.74) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL27464026 0.94 TOP1 (0.73) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL8485653 0.94 TOP1 (0.73) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL27463598 0.93 TOP1 (0.77) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL8485179 0.93 TOP1 (0.77) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL27614075 0.92 TOP1 (0.76) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL8484350 0.92 TOP1 (0.71) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL27504830 0.92 TOP1 (0.71) TOP1KDM4EMAPTMEN1KMT2A
SCHEMBL8484231 0.91 TOP1 (0.79) TOP1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP claimed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO claimed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US disclosed
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP disclosed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — WO disclosed
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