SCHEMBL8996439

SCHEMBL8996439

CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(-c3nnn[nH]3)cc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.57
ADORA3 P0DMS8 3/20 0.57
ADORA2A P29274 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
ADORA1 P30542 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ABCC4 O15439 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CHRM2 P08172 1/20 0.57
HSP90AB1 P08238 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
CHRM1 P11229 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL8996347 0.89 TTR (0.43) TTRADORA3ADORA2AKDM4EALDH1A1
SCHEMBL8996320 0.84 EGFR (0.45) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8996340 0.78 KDM4E (0.54) TTRADORA3ADORA2AKDM4EALDH1A1
SCHEMBL9008523 0.77 TTR (0.43) TTRADORA3ADORA2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8996365 0.77 KDM4E (0.53) TTRADORA3ADORA2AKDM4EALDH1A1
SCHEMBL5613348 0.77 ALDH1A1 (0.73) TTRADORA3ADORA2AKDM4EALDH1A1
SCHEMBL8996327 0.76 ALDH1A1 (0.51) TTRKDM4EALDH1A1MAPTKMT2A
SCHEMBL8996422 0.75 KMT2A (0.50) TTRADORA3ADORA2AKDM4EALDH1A1
SCHEMBL14003223 0.75 TTR (0.71) TTRADORA3ADORA2AKDM4EALDH1A1
SCHEMBL29227280 0.74 PDE5A (0.50) KDM4EALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US claimed
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