SCHEMBL5809509

SCHEMBL5809509

O=C(O)c1cccc(N=Nc2ccc(-c3cc(=S)ss3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 2/20 0.48
GAA P10253 1/20 0.48
PLCG1 P19174 1/20 0.48
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46

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
SCHEMBL5809506 1.00 RAB9A (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7708937 0.82 MAPT (0.60) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7708935 0.82 MAPT (0.60) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL596803 0.80 MEN1 (0.67) KMT2AMAPTMEN1ALDH1A1THRB
SCHEMBL596372 0.80 MEN1 (0.51) KMT2AMEN1ALDH1A1THRBHDAC3
SCHEMBL596371 0.80 MEN1 (0.51) KMT2AMEN1ALDH1A1THRBHDAC3
SCHEMBL596802 0.80 MEN1 (0.67) KMT2AMAPTMEN1ALDH1A1THRB
SCHEMBL4556769 0.79 HDAC1 (0.61) KMT2AMEN1HDAC3HDAC4HDAC1
SCHEMBL5486185 0.77 TRPA1 (0.67) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL14437429 0.77 TRPA1 (0.67) RAB9ANPC1KMT2AMAPTMEN1

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
WO-2006125293-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2006-11-30 WO disclosed