SCHEMBL9550491

SCHEMBL9550491

N#Cc1ccc(N(C(N)=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
MMP2 P08253 1/20 0.44
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
GSK3B P49841 2/20 0.41
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MMP3 P08254 1/20 0.39
ENPP2 Q13822 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 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
SCHEMBL29624301 0.88 PARP15 (0.46) PARP15PARP10PARP2CA2CA1
SCHEMBL27499247 0.83 PTGIR (0.39) ALDH1A1MAPTTSHR
SCHEMBL2233585 0.83 CA2 (0.69) CA2CA1MMP2CA12CA9
SCHEMBL5007846 0.80 PARP15 (0.43) PARP15PARP10PARP2CA2CA1
SCHEMBL1705319 0.79 CA2 (0.45) CA2CA1MMP2CA12CA3
SCHEMBL15484291 0.79 ALDH1A1 (0.54) PARP15PARP10PARP2CA2CA1
SCHEMBL8982765 0.78 KDM4E (0.35) PARP15PARP10PARP2CA2CA1
SCHEMBL28980379 0.78 NOS3 (0.46) PARP15PARP10PARP2CA2CA1
SCHEMBL3068615 0.77 PARP15 (0.38) PARP15PARP10PARP2CA2CA1
SCHEMBL14698064 0.76 KMT2A (0.54) CA2CA1CA12CA3CA6

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
JP-5196975-A None JP disclosed
JP-H05196975-A ORGANIC NONLINEAR OPTICAL MATERIAL SUMITOMO BAKELITE CO LTD 1993-08-06 JP disclosed