SCHEMBL5709196

SCHEMBL5709196

Cn1cc(NC=O)cc1[C]=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.36
ESR1 P03372 1/20 0.36
TOP1 P11387 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5709202 0.73 HDAC8 (0.40) HRASESR1TOP1ESR2KDM4E
SCHEMBL28223520 0.70 HRAS (0.36) HRASESR1TOP1ESR2KDM4E
SCHEMBL4855585 0.69 HRAS (0.50) HRASESR1TOP1ESR2KDM4E
SCHEMBL4850168 0.68 HRAS (0.49) HRASESR1TOP1ESR2KDM4E
SCHEMBL6130558 0.66
SCHEMBL20448741 0.66
SCHEMBL28026875 0.65 ALDH1A1 (0.40) HRASESR1TOP1ESR2KDM4E
SCHEMBL14002822 0.63 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E
SCHEMBL5748174 0.63 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E
SCHEMBL5745871 0.63 TOP1 (0.62) HRASESR1TOP1ESR2KDM4E

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
EP-1641753-B1 PROCESS FOR THE SYNTHESIS OF DISTAMYCIN AND DERIVATIVES THEREOF USING 1-METHYL-4-FORMYLAMINO-2-PYRROLECARBONYL CHLORIDE ITERATIVELY AS AN INTERMEDIATE NAXOSPHARMA S R L (IT) 2006-10-18 EP claimed