SCHEMBL12441982

SCHEMBL12441982

Bc1cc(C)c2c(c1)CN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
GRM2 Q14416 2/20 0.39
PARP1 P09874 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8271878 0.88 KMT2A (0.41) POLBALDH1A1GRM2PARP1KDM4E
SCHEMBL12441822 0.88 PARP1 (0.42) ALDH1A1PARP1RAB9AKDM4EHSD17B10
SCHEMBL12441825 0.87 PARP1 (0.51) ALDH1A1PARP1
SCHEMBL8271979 0.87 ALDH1A1 (0.42) POLBALDH1A1LMNAGRM2RAB9A
SCHEMBL8271580 0.85 PARP1 (0.37) POLBGRM2PARP1
SCHEMBL12442810 0.85 PRMT5 (0.39) ALDH1A1GRM2PARP1KDM4E
SCHEMBL12442218 0.85 GAA (0.42) POLBALDH1A1LMNAGRM2
SCHEMBL2023569 0.85 MAPK1 (0.42) POLBALDH1A1LMNAGRM2RAB9A
SCHEMBL12442013 0.83 GRM2 (0.41) GRM2PARP1
SCHEMBL12441824 0.83 PARP1 (0.35) POLBALDH1A1GRM2PARP1KDM4E

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-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed