SCHEMBL10697744

SCHEMBL10697744

CCCCCN1C(=O)C(C)(C)c2cc(NC(=O)c3cnccn3)c([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CCR5 P51681 5/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL10696376 0.94 POLB (0.43) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL10701527 0.86 MAPT (0.49) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL10698400 0.86 MAPT (0.47) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL10698960 0.85 MAPT (0.41) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL10532531 0.85 MAPT (0.40) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL10699998 0.83 MAPT (0.49) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL10697943 0.82 MAPT (0.41) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL10530680 0.81 POLB (0.41) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL10696545 0.80 LMNA (0.38) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL10699997 0.79 MAPT (0.51) MAPTPOLBKMT2AMEN1LMNA

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