SCHEMBL8840293

SCHEMBL8840293

C=COC(=O)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P4HB P07237 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL295796 0.84 ALDH1A1 (0.40) CA1CA2ALDH1A1MAPTTDP1
SCHEMBL28078569 0.83 CA1 (0.52) CA1CA2PARP15PARP10PARP2
SCHEMBL28944014 0.82 ALDH1A1 (0.39) CA1CA2ALDH1A1MAPTTDP1
SCHEMBL6965607 0.79 CA2 (0.55) CA1CA2PARP15PARP10PARP2
SCHEMBL7649941 0.78 CA2 (0.59) CA1CA2PARP15PARP10PARP2
SCHEMBL19506902 0.78 PDCD1 (0.41) CA1CA2ALDH1A1
SCHEMBL6230747 0.77 SNCA (0.54) CA1CA2PARP15PARP10PARP2
SCHEMBL247746 0.76 CA2 (0.57) CA1CA2PARP15PARP10PARP2
SCHEMBL689989 0.76 CA1 (0.54) CA1CA2ALDH1A1MAPTTDP1
SCHEMBL787166 0.76 TSHR (0.52) CA1CA2ALDH1A1MAPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed
US-5626910-A CONTACTING RESIN WITH FLUORINE GAS FOR SURFACE MODIFIED MOLDED PRODUCT MITSUBISHI CHEMICAL CORPORATION (JP) 1997-05-06 US disclosed
US-5294484-A Multilayer element SONY CORPORATION (JP) 1994-03-15 US disclosed
EP-0585662-A1 Surface-modified molded product of synthetic resin and process for producing it Mitsubishi Chemical Corporation (JP) 1994-03-09 EP disclosed