SCHEMBL7826294

SCHEMBL7826294

C=C(Br)C(=O)Nc1n[nH]c(C(=O)Nc2c[nH]c(C(=O)Nc3c[nH]c(C(=O)Nc4c[nH]c(C(=O)NCCC(N)=NO)c4C)c3C)c2C)c1C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.31

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
SCHEMBL7834927 1.00 BDKRB1 (0.31) BDKRB1
SCHEMBL7837429 0.99 BDKRB1 (0.32) BDKRB1
SCHEMBL7837000 0.98 BDKRB1 (0.32) BDKRB1
SCHEMBL7837030 0.93
SCHEMBL7837451 0.92
SCHEMBL7837767 0.92
SCHEMBL7836969 0.91 BDKRB1 (0.32) BDKRB1
SCHEMBL7827423 0.91 BDKRB1 (0.32) BDKRB1
SCHEMBL7835682 0.91 BDKRB1 (0.32) BDKRB1
SCHEMBL8445606 0.91 GRM1 (0.30)

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-1064280-A1 ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-01-03 EP disclosed
WO-1999050265-A1 ACRYLOYL DERIVATIVES ANALOGOUS TO DISTAMYCIN, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-07 WO disclosed