SCHEMBL5760610

SCHEMBL5760610

CCn1c(SCc2cc(-c3cccc([N+](=O)[O-])c3)cnc2-c2nnc(SCc3nnc(-c4cccc([N+](=O)[O-])c4)o3)n2CC)nnc1-c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 10/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TSHR P16473 5/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1544714 0.91 LMNA (0.55) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1544672 0.79 ALDH1A1 (0.59) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1543533 0.78 ALDH1A1 (0.54) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1544695 0.77 MEN1 (0.59) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1543910 0.76 ALDH1A1 (0.55) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1544432 0.75 MEN1 (0.56) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1543817 0.68 MEN1 (0.58) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1544531 0.68 ALDH1A1 (0.55) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL1544053 0.68 ALDH1A1 (0.59) POLBLMNAALDH1A1MEN1KMT2A
SCHEMBL1544593 0.67 LMNA (0.58) POLBLMNAALDH1A1MEN1KMT2A

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-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed