SCHEMBL4701010

SCHEMBL4701010

Cc1c(NC(=O)c2[nH]cc([N+](=O)[O-])c2C)c[nH]c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 0.40
KLF10 Q13118 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 3/20 0.36
HCAR3 P49019 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7811994 1.00 POLB (0.42) POLBALDH1A1LMNAKLF10TSHR
SCHEMBL4703527 0.87 LMNA (0.40) POLBALDH1A1LMNAKLF10TSHR
SCHEMBL2388710 0.85 TSHR (0.50) POLBALDH1A1TSHRKMT2AMEN1
SCHEMBL7838761 0.80 MEN1 (0.39) POLBALDH1A1LMNAKLF10KMT2A
SCHEMBL8388679 0.78 KMT2A (0.37) POLBALDH1A1LMNAKLF10KMT2A
SCHEMBL4703943 0.72 KMT2A (0.43) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL9041188 0.72 ALDH1A1 (0.34) POLBALDH1A1LMNAKLF10KMT2A
SCHEMBL19332726 0.71 CCNC (0.44) ALDH1A1LMNATSHRL3MBTL1TDP1
SCHEMBL8963317 0.71 KDM4E (0.40) POLBALDH1A1KLF10TSHRKMT2A
SCHEMBL7645811 0.71 TOP1 (0.37) POLBALDH1A1LMNAKLF10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed