SCHEMBL10567299

SCHEMBL10567299

CCOC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3cnc(C)nc3)c([N+](=O)[O-])cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 5/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.35
PTGER4 P35408 1/20 0.35
PKM P14618 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HTT P42858 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
SCHEMBL10569569 0.88 POLB (0.35) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL10566620 0.88 GAA (0.37) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL9830264 0.87 MAPT (0.41) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL10477979 0.87 MAPT (0.47) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL9831567 0.86 MAPT (0.52) MAPTLMNAKMT2ANPC1CYP1A2
SCHEMBL10565931 0.85 ALDH1A1 (0.43) MAPTLMNARAB9AKMT2ANPC1
SCHEMBL10567151 0.84 MAPK1 (0.39) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL10568792 0.84 LMNA (0.37) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL9832315 0.84 MAPT (0.39) MAPTLMNARAB9AKMT2AMAPK1
SCHEMBL9835169 0.83 RECQL (0.43) MAPTLMNARAB9AKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835280-A Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed