SCHEMBL7626555

SCHEMBL7626555

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C(C#N)C#N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.73
▸ ALDH1A1 P00352 3/20 0.64
▸ GLA P06280 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ TP53 P04637 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ CHEK1 O14757 1/20 0.64
▸ HDAC3 O15379 1/20 0.64
▸ ABCC4 O15439 1/20 0.64
▸ GMNN O75496 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ HNRNPA1 P09651 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ ALOX15 P16050 1/20 0.64

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
SCHEMBL4449959 0.90 TOP1 (0.79) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7630113 0.89 TOP1 (0.70) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL10130708 0.89 TOP1 (0.76) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7974625 0.89 TOP1 (0.77) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL2031817 0.89 TOP1 (0.76) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7976717 0.88 TOP1 (0.75) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL7976814 0.88 TOP1 (0.75) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL27480521 0.88 TOP1 (0.77) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL5320938 0.88 TOP1 (0.77) TOP1ALDH1A1GLAMEN1KMT2A
SCHEMBL10983845 0.87 TOP1 (0.73) TOP1ALDH1A1GLAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885230-B1 CAMPTOTHECIN DERIVATIVES AND THE USE THEREOF AS ANTITUMOR AGENTS IST NAZ STUD CURA DEI TUMORI (IT) 2002-07-24 — — EP disclosed
US-6306868-B1 ISOMERS OF FOR ANTITUMOR AGENTS ISTITUTO NAZIONALE PER LO STUDIO E LA CURA DEI TUMORI (IT) 2001-10-23 — — US disclosed
US-6130227-A 7-Substituted camptothecin derivatives and methods for inhibiting the growth of tumor cells therewith ISTITUTO NAZIONAL PER LO STUDIO E LA CURA DEI TUMORI (IT) 2000-10-10 — — US disclosed
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