SCHEMBL9832850

SCHEMBL9832850

CC1(C)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
MCL1 Q07820 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL9833023 0.96 POLB (0.43) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9834325 0.89 POLB (0.41) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9831184 0.88 POLB (0.42) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9832307 0.88 MAPT (0.57) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9833886 0.87 KMT2A (0.43) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9834415 0.87 POLB (0.39) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9831423 0.86 MAPT (0.40) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2487310 0.85 MAPT (0.54) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL10376118 0.84 HCAR3 (0.53) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9834234 0.84 PGR (0.41) POLBKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US claimed
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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed