SCHEMBL10693972

SCHEMBL10693972

CN1C(=O)C(C)(C)c2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MCL1 Q07820 1/20 0.41
WDR5 P61964 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MEN1 O00255 1/20 0.39
HCAR3 P49019 1/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL10698788 0.88 MAPT (0.55) NPC1RAB9AKMT2APOLBMAPT
SCHEMBL10698083 0.87 NPC1 (0.40) NPC1RAB9AMCL1WDR5KMT2A
SCHEMBL10699685 0.87 NPC1 (0.39) NPC1RAB9AMCL1WDR5KMT2A
SCHEMBL10695938 0.86 MAPT (0.52) NPC1RAB9AKMT2APOLBMAPT
SCHEMBL10697943 0.86 MAPT (0.41) NPC1RAB9AMCL1WDR5KMT2A
SCHEMBL10532556 0.85 WDR5 (0.39) NPC1RAB9AMCL1WDR5KMT2A
SCHEMBL10698960 0.85 MAPT (0.41) NPC1RAB9AMCL1WDR5KMT2A
SCHEMBL10698512 0.83 MAPT (0.43) NPC1RAB9AMCL1KMT2APOLB
SCHEMBL10698400 0.83 MAPT (0.47) NPC1RAB9AKMT2APOLBMAPT
SCHEMBL10698508 0.82 MAPT (0.53) NPC1RAB9AKMT2APOLBMAPT

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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed