SCHEMBL8155063

SCHEMBL8155063

N#Cc1cc(C#N)cc(C=CC(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HB P07237 11/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PELI1 Q96FA3 2/20 0.41
HDAC2 Q92769 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 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
SCHEMBL8155056 1.00 P4HB (0.43) P4HBPTGS1PTGS2PELI1HDAC2
SCHEMBL8149535 0.82 HCAR2 (0.47) P4HBPTGS1PTGS2HDAC2ALDH1A1
SCHEMBL8149540 0.82 HCAR2 (0.47) P4HBPTGS1PTGS2HDAC2ALDH1A1
SCHEMBL8148525 0.82 P4HB (0.62) P4HBMAOAMAOB
SCHEMBL8148520 0.82 P4HB (0.62) P4HBMAOAMAOB
SCHEMBL7569115 0.81 MAPT (0.60) P4HBHDAC2ALDH1A1LMNAMAPT
SCHEMBL8149933 0.81 MAPT (0.60) P4HBHDAC2ALDH1A1LMNAMAPT
SCHEMBL8154678 0.73 PELI1 (0.44) PELI1HDAC2ALDH1A1LMNAMAPT
SCHEMBL8154684 0.73 PELI1 (0.44) PELI1HDAC2ALDH1A1LMNAMAPT
SCHEMBL17310823 0.72 MAOB (0.43) P4HBPTGS1PTGS2HDAC2ALDH1A1

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-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 US disclosed