Sugi Predict

Sugi Predict / Compounds / SCHEMBL5159236

SCHEMBL5159236

SCHEMBL5159236

COc1cc2c(-c3ccccc3)c3n(c2cc1OC)CCNC3=O.COc1ccc(-c2c(C(=O)O)n(CCN)c3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 14/20 0.40
▸ EDNRB P24530 10/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL4591386 0.82 PARP1 (0.46) PTPN1KDM4EHPGDHIF1AKMT2A
SCHEMBL4591110 0.81 PARP1 (0.42) PTPN1KDM4EHPGDHIF1AKMT2A
SCHEMBL4591041 0.74 MAPK8 (0.44) EDNRAEDNRBKDM4EHPGDKMT2A
SCHEMBL4591054 0.74 EDNRA (0.52) EDNRAEDNRB
SCHEMBL4592011 0.74 EDNRB (0.52) EDNRAEDNRBKDM4EHPGDKMT2A
SCHEMBL5424965 0.74 EDNRA (0.50) EDNRAEDNRB
Hydrochloric Acid SCHEMBL4591042 0.74 MAPK8 (0.44) EDNRAEDNRBKDM4EHPGDKMT2A
SCHEMBL5186159 0.73 EDNRA (0.52) EDNRAEDNRB
SCHEMBL4591747 0.73 EDNRB (0.61) EDNRAEDNRB
SCHEMBL4766620 0.72 EDNRB (0.51) EDNRAEDNRBKDM4EHPGDKMT2A

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
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 — — EP disclosed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 — — WO disclosed