SCHEMBL5242176

SCHEMBL5242176

CC(CCN1Cc2ccccc2C1=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 2/20 0.57
SIRT1 Q96EB6 1/20 0.57
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
HTR7 P34969 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 3/20 0.46
ACHE P22303 1/20 0.46
MTR Q99707 1/20 0.46
XIAP P98170 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL26779810 0.85 KDM4E (0.59) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL2021954 0.80 PARP1 (0.41) ALDH1A1HTT
SCHEMBL30073106 0.79 KDM4E (0.72) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL30073110 0.79 KDM4E (0.72) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL7814145 0.77 ALOX15 (0.65) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL8242914 0.77 KDM4E (0.64) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL31252767 0.77 KDM4E (0.64) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL7850156 0.75 KDM4E (0.54) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL10085286 0.74 KDM4E (0.69) KDM4EALOX15TSHRSIRT1HTR1A
SCHEMBL741365 0.74 ALOX15 (0.65) KDM4EALOX15TSHRSIRT1HTR1A

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
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed