SCHEMBL8482799

SCHEMBL8482799

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 20/20 0.77
▸ KDM4E B2RXH2 3/20 0.69
▸ MAPT P10636 3/20 0.69
▸ RECQL P46063 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ USP2 O75604 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ CASP1 P29466 2/20 0.65
▸ BRCA1 P38398 2/20 0.65
▸ CASP7 P55210 2/20 0.65
▸ HBB P68871 2/20 0.65
▸ KEAP1 Q14145 2/20 0.65
▸ NFE2L2 Q16236 2/20 0.65
▸ HIF1A Q16665 2/20 0.65

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
SCHEMBL27464420 1.00 TOP1 (0.77) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL27478767 0.93 TOP1 (0.73) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL8486034 0.93 TOP1 (0.73) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL8486328 0.93 TOP1 (0.73) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL8483108 0.92 TOP1 (0.78) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL27477908 0.92 TOP1 (0.78) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL27479180 0.92 TOP1 (0.72) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL8485179 0.91 TOP1 (0.77) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL27463598 0.91 TOP1 (0.77) TOP1KDM4EMAPTRECQLTDP1
SCHEMBL8484963 0.89 TOP1 (0.79) TOP1KDM4EMAPTRECQLTDP1

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-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
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