SCHEMBL6971337

SCHEMBL6971337

[CH2]COC(=O)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GSK3B P49841 2/20 0.50
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL10973501 0.85 ADRB2 (0.55) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL23681041 0.83 ADRB2 (0.54) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL28306812 0.81 CA12 (0.61) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL1365179 0.81 CA12 (0.61) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL6230747 0.81 SNCA (0.54) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL10987144 0.80 GSK3B (0.55) TDP1KMT2AGSK3BALDH1A1MEN1
SCHEMBL10941602 0.79 TSHR (0.64) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL24112443 0.79 TDP1 (0.65) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL6965607 0.79 CA2 (0.55) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL7649941 0.78 CA2 (0.59) ADRB2ADRB1ADRB3TDP1L3MBTL1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed