SCHEMBL8235456

SCHEMBL8235456

Cc1cc(C(=O)Nc2ccc(CN)cc2)cc(Cl)c1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 6/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL5598072 0.85 PLAU (0.48) PLAUTAS1R3TAS1R1TAS1R2CA12
SCHEMBL8229818 0.85 HDAC1 (0.47) PLAUMAPTKDM4EMEN1KMT2A
SCHEMBL8235752 0.85 MAPT (0.41) PLAUCA1CA2MAPTKDM4E
SCHEMBL8235458 0.84 PLAU (0.65) PLAUTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL5591785 0.81 PLAU (0.47) PLAUTAS1R3TAS1R1TAS1R2CA12
SCHEMBL5591557 0.80 PLAU (0.43) PLAUTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL5591617 0.80 PLAU (0.46) PLAUCA12CA1CA2CA9
SCHEMBL5591687 0.79 CA12 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL5591560 0.77 PLAU (0.44) PLAUTAS1R3TAS1R1TAS1R2CA12
SCHEMBL8230026 0.76 PLAU (0.77) PLAUTAS1R3TAS1R1TAS1R2KDM4E

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-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
Send feedback