SCHEMBL8996467

SCHEMBL8996467

CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(-c3nc4ccccc4n3C)cc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 4/20 0.53
CASP7 P55210 2/20 0.53
TTR P02766 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
ABCC4 O15439 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CHRM2 P08172 1/20 0.53
HSP90AB1 P08238 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL8996419 0.85 ELANE (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8996388 0.79 ALDH1A1 (0.52) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8996340 0.77 KDM4E (0.54) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8996365 0.76 KDM4E (0.53) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14003223 0.74 TTR (0.71) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8996422 0.74 KMT2A (0.50) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5613348 0.73 ALDH1A1 (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL11101186 0.71 TTR (0.72) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8996439 0.71 TTR (0.57) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16549421 0.71 TTR (0.82) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A

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