SCHEMBL28751378

SCHEMBL28751378

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 20/20 0.74
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ MAPT P10636 3/20 0.67
▸ CASP1 P29466 3/20 0.67
▸ CASP7 P55210 3/20 0.67
▸ HBB P68871 3/20 0.67
▸ USP2 O75604 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ BRCA1 P38398 2/20 0.67
▸ KEAP1 Q14145 2/20 0.67
▸ NFE2L2 Q16236 2/20 0.67
▸ HIF1A Q16665 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ SLC22A2 O15244 1/20 0.67
▸ TOP2A P11388 1/20 0.67
▸ TOP2B Q02880 1/20 0.67
▸ SLC47A2 Q86VL8 1/20 0.67

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
SCHEMBL27614075 0.95 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8484231 0.92 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27595211 0.92 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8480557 0.91 TOP1 (0.74) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8485653 0.90 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27461806 0.90 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27464026 0.90 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8484253 0.90 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27595214 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8485179 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100406460-C Novel derivative of camptothecine, preparing method and use SHANGHAI INST MATERIA MEDICA (CN) 2008-07-30 — — CN disclosed
CN-1616460-A Novel derivative of camptothecine, preparing method and use SHANGHAI INST MATERIA MEDICA (CN) 2005-05-18 — — CN disclosed
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