SCHEMBL11547754

SCHEMBL11547754

COc1ccc(Nc2ccc(Nn3cccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
MAPT P10636 6/20 0.63
GAA P10253 3/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPK1 P28482 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
NPC1 O15118 3/20 0.63
THRB P10828 2/20 0.63
RECQL P46063 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NR4A1 P22736 1/20 0.53
ALDH1A1 P00352 4/20 0.49
HTT P42858 3/20 0.47
ABCB11 O95342 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MMP14 P50281 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL11548366 0.94 MAPT (0.52) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL1459772 0.79 MAPT (1.00) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL39057 0.79 MAPT (1.00) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL11547917 0.78 ALDH1A1 (0.59) MAPTGAAKDM4EMAPK1TDP1
SCHEMBL11413768 0.77 PDE5A (0.34) MAPK1TDP1L3MBTL1ALDH1A1ALOX12
SCHEMBL316390 0.76 RAB9A (0.81) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL9479393 0.76 RAB9A (0.81) RAB9AMAPTGAAKDM4EMAPK1
Hydrochloric Acid SCHEMBL7128947 0.74 RAB9A (0.77) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL12648780 0.73 MAPT (0.85) RAB9AMAPTGAAKDM4EMAPK1
SCHEMBL8943931 0.73 MAPT (0.85) RAB9AMAPTGAAKDM4EMAPK1

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
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 US disclosed