SCHEMBL27504832

SCHEMBL27504832

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.81
▸ MEN1 O00255 5/20 0.81
▸ KMT2A Q03164 5/20 0.81
▸ SMN1; SMN2 Q16637 5/20 0.81
▸ KDM4E B2RXH2 4/20 0.81
▸ CASP1 P29466 3/20 0.81
▸ CASP7 P55210 3/20 0.81
▸ HBB P68871 3/20 0.81
▸ MAPT P10636 3/20 0.81
▸ USP2 O75604 2/20 0.81
▸ LMNA P02545 2/20 0.81
▸ BRCA1 P38398 2/20 0.81
▸ KEAP1 Q14145 2/20 0.81
▸ NFE2L2 Q16236 2/20 0.81
▸ HIF1A Q16665 2/20 0.81
▸ CYP3A4 P08684 2/20 0.81
▸ SLC22A2 O15244 1/20 0.81
▸ TOP2A P11388 1/20 0.81
▸ TOP2B Q02880 1/20 0.81
▸ SLC47A2 Q86VL8 1/20 0.81

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
SCHEMBL16471765 0.94 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27477913 0.93 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3376452 0.93 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8480720 0.92 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27781717 0.92 TOP1 (0.84) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2423989 0.92 TOP1 (0.84) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27464027 0.91 TOP1 (0.75) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30884751 0.91 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3377674 0.91 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4289849 0.91 TOP1 (0.82) 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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