SCHEMBL4272312

SCHEMBL4272312

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C=O)c(OC)ccc3nc2-1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.77
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ RECQL P46063 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ GLA P06280 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.67
▸ MAPT P10636 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ CYP3A4 P08684 2/20 0.65
▸ CASP1 P29466 2/20 0.65
▸ CASP7 P55210 2/20 0.65
▸ HBB P68871 2/20 0.65
▸ SLC22A2 O15244 1/20 0.65
▸ USP2 O75604 1/20 0.65
▸ LMNA P02545 1/20 0.65

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
SCHEMBL8483239 0.94 TOP1 (0.77) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL8479521 0.91 TOP1 (0.73) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL8484504 0.90 TOP1 (0.72) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL27477906 0.90 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL8481388 0.90 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL27477507 0.90 TOP1 (0.78) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL8481436 0.90 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL4259431 0.90 TOP1 (0.76) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL27367949 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2RECQL
SCHEMBL4264482 0.89 TOP1 (0.70) TOP1MEN1KMT2ASMN1; SMN2RECQL

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
EP-2096113-A1 9-substituted camptothecin derivatives as antitumor compounds SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-09-02 — — EP claimed
EP-2096113-A1 9-substituted camptothecin derivatives as antitumor compounds SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-09-02 — — EP disclosed
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