SCHEMBL8911281

SCHEMBL8911281

COC(=O)N(CC(=O)OC(=O)OC(=O)CN(C(=O)OC)c1ccc(C#N)cc1)c1ccc(C#N)cc1.[KH].[KH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
HTT P42858 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
MLYCD O95822 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RORC P51449 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL6571962 0.83 KMT2A (0.43) PGRHTTCHRNB2CHRNB4CHRNA3
SCHEMBL7282122 0.83 PGR (0.39) PGRHTTCHRNB2CHRNB4CHRNA3
Bicarbonate SCHEMBL8911277 0.78 PGR (0.40) PGRHTTCHRNB2CHRNB4CHRNA3
Bicarbonate SCHEMBL8911285 0.78 PGR (0.40) PGRHTTCHRNB2CHRNB4CHRNA3
Bicarbonate SCHEMBL8911279 0.78 PGR (0.40) PGRHTTCHRNB2CHRNB4CHRNA3
SCHEMBL13603926 0.72 HTT (0.46) PGRHTTCHRNB2CHRNB4CHRNA3
SCHEMBL874235 0.71 PGR (0.47) PGRHTTCHRNB2CHRNB4CHRNA3
SCHEMBL8604785 0.71 CYP11B1 (0.42) HTTMLYCDKMT2AMEN1NPC1
SCHEMBL5346395 0.71 HTT (0.45) PGRHTTCHRNB2CHRNB4CHRNA3
SCHEMBL8439016 0.68 ALDH1A1 (0.47) MLYCDKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed