SCHEMBL6434947

SCHEMBL6434947

Cc1ccc(Nc2nc3nonc3nc2NN=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 7/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
IDO1 P14902 1/20 0.41
LMNA P02545 5/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
ARNT P27540 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL6434942 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL25645288 0.80 KMT2A (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6421053 0.79 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6421059 0.79 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6415002 0.76 BIRC5 (0.46) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6415008 0.76 BIRC5 (0.46) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3045614 0.74 MEN1 (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL25645075 0.73 GAA (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6503291 0.73 MET (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6506319 0.73 MET (0.52) ALDH1A1MEN1KMT2AMAPTPOLB

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-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP disclosed