SCHEMBL27432677

SCHEMBL27432677

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=N)C(C)C)cccc3nc2-1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 17/20 0.77
▸ GLA P06280 4/20 0.76
▸ KDM4E B2RXH2 4/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ POLB P06746 2/20 0.76
▸ MAPT P10636 2/20 0.76
▸ HIF1A Q16665 2/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ RXFP1 Q9HBX9 2/20 0.76
▸ NPC1 O15118 1/20 0.76
▸ PAX8 Q06710 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ NCOA3 Q9Y6Q9 1/20 0.76
▸ ALDH1A1 P00352 3/20 0.72
▸ RECQL P46063 2/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ RAB9A P51151 2/20 0.71
▸ BLM P54132 2/20 0.71

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
SCHEMBL7633084 1.00 TOP1 (0.77) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL7626877 0.92 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL27434176 0.92 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL7627166 0.90 TOP1 (0.77) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL27436073 0.90 TOP1 (0.77) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL25130174 0.89 TOP1 (0.78) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL8078009 0.89 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL5323807 0.88 TOP1 (0.81) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL18310362 0.87 TOP1 (1.00) TOP1GLAKDM4ESMN1; SMN2POLB
SCHEMBL8738070 0.87 TOP1 (1.00) TOP1GLAKDM4ESMN1; SMN2POLB

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-1123548-A Camptothecin derivatives and preparation method thereof PHARMACIA SPA (IT) 1996-05-29 — — CN claimed
CN-1123548-A Camptothecin derivatives and preparation method thereof PHARMACIA SPA (IT) 1996-05-29 — — CN disclosed
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