SCHEMBL8155836

SCHEMBL8155836

O=C1NCCc2cc(-c3ccc(Cl)cc3)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.76
PARP11 Q9NR21 10/20 0.76
PARP1 P09874 2/20 0.61
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61
TDP2 O95551 2/20 0.60
GSK3B P49841 2/20 0.58
JAK2 O60674 1/20 0.58
NTRK1 P04629 1/20 0.58
MET P08581 1/20 0.58
FGFR1 P11362 1/20 0.58
PRKACA P17612 1/20 0.58
KDR P35968 1/20 0.58
MAP2K2 P36507 1/20 0.58
FLT3 P36888 1/20 0.58
MAP2K1 Q02750 1/20 0.58
MST1R Q04912 1/20 0.58
NTRK3 Q16288 1/20 0.58
NTRK2 Q16620 1/20 0.58
CAMK1D Q8IU85 1/20 0.58

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
SCHEMBL1315035 0.86 PARP10 (0.74) PARP10PARP11PARP1F7F3
SCHEMBL8159245 0.86 PARP10 (1.00) PARP10PARP11PARP1F7F3
SCHEMBL8155722 0.85 PARP11 (1.00) PARP10PARP11PARP1TDP2GSK3B
SCHEMBL28140768 0.84 PARP11 (0.74) PARP10PARP11PARP1TDP2GSK3B
SCHEMBL16561672 0.84 PARP10 (0.76) PARP10PARP11PARP1F7F3
SCHEMBL8167145 0.84 PARP10 (0.76) PARP10PARP11PARP1TDP2GSK3B
SCHEMBL8155744 0.84 PARP10 (0.74) PARP10PARP11PARP1GSK3BPRKACA
SCHEMBL8155747 0.80 PARP11 (0.68) PARP10PARP11PARP1GSK3BNTRK1
SCHEMBL8161680 0.80 PARP11 (0.68) PARP10PARP11PARP1TDP2GSK3B
SCHEMBL504523 0.80 GRM5 (0.78) PARP10PARP11PARP1F7F3

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
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed