SCHEMBL28046515

SCHEMBL28046515

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.80
▸ MEN1 O00255 5/20 0.80
▸ KMT2A Q03164 5/20 0.80
▸ SMN1; SMN2 Q16637 5/20 0.80
▸ KDM4E B2RXH2 4/20 0.80
▸ MAPT P10636 3/20 0.80
▸ CASP1 P29466 3/20 0.80
▸ CASP7 P55210 3/20 0.80
▸ HBB P68871 3/20 0.80
▸ USP2 O75604 2/20 0.80
▸ LMNA P02545 2/20 0.80
▸ BRCA1 P38398 2/20 0.80
▸ KEAP1 Q14145 2/20 0.80
▸ NFE2L2 Q16236 2/20 0.80
▸ HIF1A Q16665 2/20 0.80
▸ CYP3A4 P08684 2/20 0.80
▸ SLC22A2 O15244 1/20 0.80
▸ TOP2A P11388 1/20 0.80
▸ TOP2B Q02880 1/20 0.80
▸ SLC47A2 Q86VL8 1/20 0.80

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
SCHEMBL3377674 0.94 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4289849 0.94 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30884751 0.94 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27595325 0.93 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8487224 0.92 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27552483 0.92 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3376452 0.92 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27477913 0.92 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL23432169 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8480720 0.91 TOP1 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103289461-B Camptothecin analogues is as the application of anti-fouling agent XIAMEN UNIVERSITY (CN) 2016-05-04 — — CN claimed
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