SCHEMBL27552483

SCHEMBL27552483

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCC(N)=O)c(O)ccc3nc2-1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.78
▸ MEN1 O00255 5/20 0.78
▸ KMT2A Q03164 5/20 0.78
▸ SMN1; SMN2 Q16637 5/20 0.78
▸ KDM4E B2RXH2 4/20 0.78
▸ MAPT P10636 3/20 0.78
▸ CASP1 P29466 3/20 0.78
▸ CASP7 P55210 3/20 0.78
▸ HBB P68871 3/20 0.78
▸ USP2 O75604 2/20 0.78
▸ LMNA P02545 2/20 0.78
▸ BRCA1 P38398 2/20 0.78
▸ KEAP1 Q14145 2/20 0.78
▸ NFE2L2 Q16236 2/20 0.78
▸ HIF1A Q16665 2/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ SLC22A2 O15244 1/20 0.78
▸ TOP2A P11388 1/20 0.78
▸ TOP2B Q02880 1/20 0.78
▸ SLC47A2 Q86VL8 1/20 0.78

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
SCHEMBL8487224 1.00 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8480720 0.95 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8484223 0.94 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27478381 0.94 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27478767 0.92 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8486034 0.92 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28046515 0.92 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3377674 0.92 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8483108 0.92 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27477908 0.92 TOP1 (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1159192-A Substituted camptothecin derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1997-09-10 — — CN claimed
CN-1159192-A Substituted camptothecin derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1997-09-10 — — CN disclosed
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