SCHEMBL7678939

SCHEMBL7678939

c1ccc(-c2csc(Nc3nc(-c4ccccn4)cs3)n2)nc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.81
KMT2A Q03164 4/20 0.81
NFKB1 P19838 3/20 0.81
NFKB2 Q00653 3/20 0.81
RELA Q04206 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
NPSR1 Q6W5P4 3/20 0.81
MEN1 O00255 3/20 0.81
PPP1CA P62136 2/20 0.81
KCNN1 Q92952 2/20 0.81
KCNN2 Q9H2S1 2/20 0.81
MBD2 Q9UBB5 2/20 0.81
KCNN3 Q9UGI6 2/20 0.81
NR1I2 O75469 1/20 0.81
MECP2 P51608 1/20 0.81
NR4A1 P22736 1/20 0.72
VCP P55072 1/20 0.72
SLC2A1 P11166 5/20 0.70
NPC1 O15118 3/20 0.70
TDP1 Q9NUW8 3/20 0.70

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
Bromide SCHEMBL7673197 0.98 MAPT (0.79) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL29602125 0.91 MAPT (0.74) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL6368825 0.91 MAPT (0.74) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL6368488 0.91 MAPT (0.68) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL30745771 0.90 KCNN1 (1.00) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL5155715 0.90 KCNN1 (1.00) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL12639826 0.90 SMN1; SMN2 (1.00) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL3401851 0.85 NPC1 (0.73) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL1887374 0.85 VCP (1.00) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL13803792 0.85 MAPT (0.78) MAPTKMT2ANFKB1NFKB2RELA

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
US-6391894-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US claimed