SCHEMBL8996363

SCHEMBL8996363

COc1cccc2c1C(=O)c1c(OC)cc(C=NO)cc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
PIM1 P11309 1/20 0.52
ELANE P08246 7/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSG P08311 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC37A4 O43826 1/20 0.43

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
SCHEMBL8996359 1.00 EGFR (0.52) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8996341 0.83 EGFR (0.54) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8996221 0.80 EGFR (0.50) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8947495 0.78 EGFR (0.73) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL27403460 0.78 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8996224 0.77 EGFR (0.47) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL23199074 0.76 EGFR (0.59) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL9878296 0.76 ELANE (0.60) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL27405178 0.75 EGFR (0.45) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8996346 0.75 EGFR (0.56) EGFRPIM1ELANEMEN1KMT2A

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
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
CN-1079732-A Medical compounds LILLY INDUSTRIES LTD (GB) 1993-12-22 CN disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed