SCHEMBL8790979

SCHEMBL8790979

NCCC(=O)Nc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
MYC P01106 9/20 0.55
IDO1 P14902 3/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
MAX P61244 5/20 0.53
GSTM2 P28161 2/20 0.53
MIF P14174 1/20 0.52
MAPT P10636 2/20 0.50
PSMD14 O00487 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GSTP1 P09211 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
OPRK1 P41145 1/20 0.47

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
SCHEMBL21783942 0.87 GSTM2 (0.56) MEN1KMT2AMYCIDO1POLB
SCHEMBL30520963 0.84 MEN1 (0.57) MEN1KMT2AMYCIDO1POLB
SCHEMBL30521498 0.81 IDO1 (0.52) MEN1KMT2AMYCIDO1POLB
SCHEMBL3506039 0.80 MEN1 (0.64) MEN1KMT2AMYCIDO1POLB
SCHEMBL8429536 0.79 GSTM2 (0.68) MEN1KMT2AMYCIDO1POLB
SCHEMBL18894373 0.76 GSTM2 (0.50) MEN1KMT2AMYCIDO1POLB
SCHEMBL12387644 0.76 GSTM2 (0.73) MEN1KMT2AMYCIDO1POLB
SCHEMBL593192 0.76 MEN1 (0.64) MEN1KMT2AMYCIDO1POLB
SCHEMBL9099360 0.76 MEN1 (0.64) MEN1KMT2AMYCIDO1POLB
SCHEMBL17525024 0.75 GSTM2 (0.67) MEN1KMT2AMYCIDO1POLB

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
EP-0468470-B1 Benzimidazoles, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1997-04-16 EP claimed
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed
US-5587393-A ANGIOTENSIN ANTAGONIST USEFUL IN TREATING HYPERTENSION DR. KARL THOMAE GMBH (DE) 1996-12-24 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed