SCHEMBL7976707

SCHEMBL7976707

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.70
▸ KDM4E B2RXH2 3/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ RECQL P46063 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ GLA P06280 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ STAT6 P42226 1/20 0.61
▸ CHEK1 O14757 1/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ GMNN O75496 1/20 0.61

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
SCHEMBL7976738 0.91 TOP1 (0.68) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL7976862 0.90 TOP1 (0.69) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL7974625 0.89 TOP1 (0.77) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL4449959 0.89 TOP1 (0.79) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL7976814 0.87 TOP1 (0.75) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL7632025 0.86 TOP1 (0.82) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL10130708 0.86 TOP1 (0.76) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL2031817 0.86 TOP1 (0.76) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL7962901 0.85 TOP1 (0.72) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL7976717 0.85 TOP1 (0.75) TOP1KDM4ERAB9ABLMRECQL

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
US-6291676-B1 AS ANTIPROLIFERATIVE AGENT UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2001-09-18 — — US disclosed
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