SCHEMBL10698400

SCHEMBL10698400

CN1C(=O)C(C)(C)c2cc(NC(=O)c3cnccn3)c([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
KDM4E B2RXH2 1/20 0.41
CCR5 P51681 5/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL10696376 0.88 POLB (0.43) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10532303 0.86 MAPT (0.45) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10697744 0.86 MAPT (0.41) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10698788 0.83 MAPT (0.55) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10693972 0.83 NPC1 (0.41) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10530680 0.78 POLB (0.41) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10532432 0.78 MAPT (0.43) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10534500 0.77 POLB (0.40) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10532531 0.77 MAPT (0.40) MAPTMEN1KMT2APOLBLMNA
SCHEMBL5563212 0.77 RECQL (0.42) MAPTKMT2ALMNAKDM4E

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