SCHEMBL11060488

SCHEMBL11060488

N#Cc1ccc(C(=O)CC(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
RAB9A P51151 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42

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
SCHEMBL11983785 0.88 GSK3B (0.70) GSK3BCA1CA2PARP15PARP10
SCHEMBL17857765 0.82 GSK3B (0.63) GSK3BCA1CA2RAB9ANPC1
SCHEMBL7981349 0.82 GSK3B (0.63) GSK3BCA1CA2PARP15PARP10
SCHEMBL3362638 0.81 GSK3B (0.61) GSK3BCA1CA2PARP15PARP10
SCHEMBL28043310 0.81 KMT2A (0.65) GSK3BCA1CA2RAB9ANPC1
SCHEMBL311121 0.80 GSK3B (0.66) GSK3BCA1CA2PARP15PARP10
SCHEMBL221653 0.80 MPO (0.57) GSK3BCA1CA2PARP15PARP10
Ethylene SCHEMBL8830351 0.79 GSK3B (0.59) GSK3BCA1CA2PARP15PARP10
SCHEMBL27580894 0.79 GSK3B (0.59) GSK3BCA1CA2PARP15PARP10
SCHEMBL19367865 0.79 GSK3B (0.59) GSK3BCA1CA2RAB9ANPC1

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
US-4447515-A DIACYLAMINE COMPOUND ADDED FUJI PHOTO FILM CO., LTD. (JP) 1984-05-08 US disclosed