SCHEMBL9832278

SCHEMBL9832278

O=C(Nc1cc2c(cc1[N+](=O)[O-])NC(=O)C21CCCCC1)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.42
MAPK14 Q16539 8/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
HCAR3 P49019 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MCL1 Q07820 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL9834234 0.99 PGR (0.41) PGRMAPK14KMT2APOLBMEN1
SCHEMBL9831415 0.96 PGR (0.42) PGRMAPK14KMT2APOLBMEN1
SCHEMBL10471038 0.95 PGR (0.41) PGRMAPK14KMT2APOLBMEN1
SCHEMBL9831005 0.89 MAPT (0.51) PGRMAPK14KMT2APOLBMEN1
SCHEMBL9830360 0.87 MAPT (0.52) PGRMAPK14KMT2APOLBMEN1
SCHEMBL9833237 0.85 MAPT (0.51) PGRMAPK14KMT2APOLBMEN1
SCHEMBL9832386 0.83 MAPT (0.52) PGRMAPK14KMT2APOLBMEN1
SCHEMBL9832850 0.83 POLB (0.43) KMT2APOLBMEN1HCAR3NPC1
SCHEMBL9834325 0.81 POLB (0.41) KMT2APOLBMEN1HCAR3NPC1
SCHEMBL9831423 0.81 MAPT (0.40) KMT2APOLBMEN1HCAR3NPC1

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-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed