SCHEMBL27680245

SCHEMBL27680245

NCc1cccc(C(=O)Nc2cc[c]cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.55
LOXL2 Q9Y4K0 8/20 0.51
PLAU P00749 2/20 0.51
LOX P28300 7/20 0.49
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49
KLKB1 P03952 1/20 0.49
PRSS1 P07477 1/20 0.49
CFD P00746 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
F11 P03951 1/20 0.46
TPSB2 P20231 1/20 0.46
SUCNR1 Q9BXA5 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL19964495 0.86 LOXL2 (0.62) ROCK2LOXL2PLAULOXCFD
Hydrochloric Acid SCHEMBL19953267 0.85 LOXL2 (0.62) ROCK2LOXL2PLAULOXCFD
SCHEMBL2105735 0.84 PLAU (0.56) LOXL2PLAUPLGPLATKLKB1
SCHEMBL15653197 0.84 PTGS1 (0.59) ROCK2LOXL2PLAULOXPLG
Hydrochloric Acid SCHEMBL6557821 0.83 NT5E (0.59) ROCK2LOXL2LOX
SCHEMBL1552986 0.82 NT5E (0.62) ROCK2LOXL2LOXMEN1KMT2A
SCHEMBL15888443 0.82 ROCK2 (0.61) ROCK2LOXL2PLAULOXPLG
Hydrochloric Acid SCHEMBL5458845 0.81 NT5E (0.61) ROCK2LOXL2LOXMEN1KMT2A
SCHEMBL15650701 0.79 PTGS1 (0.60) ROCK2LOXL2LOXMEN1KMT2A
SCHEMBL307678 0.78 ROCK2 (0.67) ROCK2LOXL2PLAUPLGPLAT

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
CN-1960976-A 4-carbox pyrazole derivates useful as anti-viral agents SMITHKLINE BEECHAM CORP (US) 2007-05-09 CN disclosed