SCHEMBL10697943

SCHEMBL10697943

CCCCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 2/20 0.39
MCL1 Q07820 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
WDR5 P61964 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RECQL P46063 1/20 0.37
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36

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
SCHEMBL10698960 0.97 MAPT (0.41) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10698083 0.94 NPC1 (0.40) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10699998 0.90 MAPT (0.49) MAPTKMT2AMAPK1MEN1NPC1
SCHEMBL10696183 0.88 MAPT (0.51) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10701527 0.87 MAPT (0.49) MAPTKMT2AMAPK1MEN1NPC1
SCHEMBL10532739 0.87 MAPT (0.40) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10693972 0.86 NPC1 (0.41) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10699942 0.85 MAPT (0.51) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10696534 0.85 MAPT (0.42) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL10698512 0.85 MAPT (0.43) MAPTKMT2ALMNAMAPK1MEN1

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