SCHEMBL4633246

SCHEMBL4633246

Cc1nc2c([N+](=O)[O-])cc(C(=O)N(C)C)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ERN1 O75460 2/20 0.36
HCAR3 P49019 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
DCTPP1 Q9H773 2/20 0.34
HKDC1 Q2TB90 1/20 0.33

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
SCHEMBL4632904 0.91 LMNA (0.40) LMNAALDH1A1KMT2AHTTGSTP1
SCHEMBL4632328 0.80 KMT2A (0.49) LMNAALDH1A1KMT2AGSTP1GSTM2
SCHEMBL3555267 0.80 ALDH1A1 (0.34) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL4777017 0.79 NPC1 (0.34) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL4592596 0.79 MAP4K1 (0.36) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL4664889 0.75 LMNA (0.40) LMNAALDH1A1KMT2AHTTNPC1
SCHEMBL5901211 0.74 ALDH1A1 (0.47) LMNAALDH1A1KMT2AHTTNPSR1
SCHEMBL4633149 0.74 LMNA (0.43) LMNAALDH1A1KMT2AHTTGSTP1
SCHEMBL4633318 0.70 MAP4K1 (0.34) ALDH1A1
SCHEMBL4632242 0.70 KMT2A (0.53) LMNAALDH1A1KMT2AHTTGSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed