SCHEMBL8485179

SCHEMBL8485179

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 20/20 0.77
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ MAPT P10636 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
▸ SLC22A2 O15244 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ TOP2A P11388 1/20 0.65
▸ TOP2B Q02880 1/20 0.65
▸ SLC47A2 Q86VL8 1/20 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
SCHEMBL27463598 1.00 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8480557 0.94 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27461806 0.93 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27464026 0.93 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8485653 0.93 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8484253 0.93 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27477908 0.92 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8483108 0.92 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27464420 0.91 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8482799 0.91 TOP1 (0.77) 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 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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