SCHEMBL9017147

SCHEMBL9017147

COC(=O)c1cnc(Nc2ccc(OC)c(OC)c2)[n+](C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
EGFR P00533 4/20 0.41
CLK1 P49759 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LCK P06239 1/20 0.41
TP53 P04637 1/20 0.40
ERBB2 P04626 1/20 0.40
SRC P12931 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 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
Sulfuric Acid SCHEMBL8681495 0.96 MAPT (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9017142 0.80 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8682666 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
Water SCHEMBL8681365 0.79 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
Sulfuric Acid SCHEMBL8681489 0.77 CA1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
Sulfuric Acid SCHEMBL8681496 0.76 CA1 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8686302 0.71 MAPK8 (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9017131 0.71 MAPK1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
Water SCHEMBL8681442 0.70 MAPK1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
Sulfuric Acid SCHEMBL8681538 0.68 MAPK1 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E

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-0572635-B1 COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NAT RECH SCIENT (FR) 1996-12-27 EP disclosed
WO-1993010102-A1 NOVEL COMPOUNDS HAVING A GUANIDINE STRUCTURE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 1993-05-27 WO disclosed