SCHEMBL10600019

SCHEMBL10600019

COC(=O)c1cc(N)cc(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KDM4E B2RXH2 5/20 0.49
POLB P06746 2/20 0.49
GAA P10253 4/20 0.48
XDH P47989 2/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
USP2 O75604 1/20 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
SCHEMBL111187 0.92 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10889230 0.92 CA1 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL111186 0.90 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL654773 0.87 CA1 (0.58) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9494959 0.85 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4731090 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2205901 0.84 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL18938219 0.84 ATM (0.52) CA12CA1CA2CA7CA9
SCHEMBL1807992 0.82 KDM4E (0.46) KDM4EPOLBLMNATDP1L3MBTL1
SCHEMBL14783973 0.82 NOTUM (0.57) CA12CA1CA2CA7CA9

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
EP-0162806-B1 AZO COMPOUNDS CONTAINING AT LEAST ONE CARBON AMIDE GROUP CIBA-GEIGY AG (CH) 1989-01-25 EP disclosed
US-4737581-A PIGMENTING HIGH-MOLECULAR-WEIGHT COMPOUNDS; PRINTING INKS; LACQUERS COLORFASTNESS; REDS AND ORANGES CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed